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biojs-vis-pdbviewer

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A BioJS 2.0 component to view protein structures

github.com/sillitoe/biojs-vis-pdbviewer

sillitoe/biojs-vis-pdbviewer

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#extracted by Simone Sturniolo from ROBIN K. HARRIS, EDWIN D. BECKER, SONIA M. CABRAL DE MENEZES, ROBIN GOODFELLOW, AND PIERRE GRANGER, Pure Appl. Chem., Vol. 73, No. 11, pp. 1795�1818, 2001. NMR NOMENCLATURE. NUCLEAR SPIN PROPERTIES AND CONVENTIONS FOR CHEMICAL SHIFTS (IUPAC Recommendations 2001) #element atomNo isotopeDef isotope1 G1 Q1 isotope2 G2 Q2 isotope3 G3 Q3 H 1 1 1 26.7522128 0 2 4.10662791 0.00286 3 28.5349779 0 He 2 3 3 -20.3801587 0 Li 3 7 6 3.9371709 -0.000808 7 10.3977013 -0.0401 Be 4 9 9 -3.759666 0.05288 B 5 11 10 2.8746786 0.08459 11 8.5847044 0.04059 C 6 13 13 6.728284 0 N 7 14 14 1.9337792 0.02044 15 -2.71261804 0 O 8 17 17 -3.62808 -0.02558 F 9 19 19 25.18148 -0.0942 Ne 10 21 21 -2.11308 0.10155 Na 11 23 23 7.0808493 0.104 Mg 12 25 25 -1.63887 0.1994 Al 13 27 27 6.9762715 0.1466 Si 14 29 29 -5.319 0 P 15 31 31 10.8394 0 S 16 33 33 2.055685 -0.0678 Cl 17 35 35 2.624198 -0.08165 37 2.184368 -0.06435 K 19 39 40 -1.5542854 -0.073 41 0.68606808 0.0711 39 1.2500608 0.0585 Ca 20 43 43 -1.803069 -0.0408 Sc 21 45 45 6.5087973 -0.22 Ti 22 49 49 -1.51095 0.247 47 -1.5105 0.302 V 23 51 50 2.670649 0.21 51 7.0455117 -0.052 Cr 24 53 53 -1.5152 -0.15 Mn 25 55 55 6.6452546 0.33 Fe 26 57 57 0.8680624 0.16 Co 27 59 59 6.332 0.42 Ni 28 61 61 -2.3948 0.162 Cu 29 65 65 7.60435 -0.204 63 7.111789 -0.22 Zn 30 67 67 1.676688 0.15 Ga 31 71 69 6.438855 0.171 71 8.181171 0.107 Ge 32 73 73 -0.9360303 -0.196 As 33 75 75 4.596163 0.314 Se 34 77 77 5.1253857 0.76 Br 35 81 81 7.249776 0.262 79 6.725616 0.313 Kr 36 83 83 -1.0331 0.259 Rb 37 87 85 2.592705 0.276 87 8.7864 0.1335 Sr 38 87 87 -1.1639376 0.305 Y 39 89 89 -1.3162791 0 Zr 40 91 91 -2.49743 -0.176 Nb 41 93 93 6.5674 -0.32 Mo 42 95 97 -1.788 0.255 95 1.751 -0.022 Ru 44 99 99 -1.229 0.079 Tc 43 99 99 6.046 -0.129 Rh 45 103 103 -0.8468 0 Pd 46 105 105 -1.23 0.66 Ag 47 109 107 -1.0889181 0 109 -1.2518634 0 Cd 48 113 113 -5.9609155 0 111 -5.6983131 0 In 49 115 113 5.8845 0.759 115 5.8972 0.77 Sn 50 119 115 -8.8013 0 117 -9.58879 0 119 -10.0317 -0.132 Sb 51 121 121 6.4435 -0.543 123 3.4892 -0.692 Te 52 125 123 -7.059098 0 125 -8.5108404 0 I 53 127 127 5.389573 -0.696 Xe 54 129 129 -7.452103 0 131 2.209076 -0.114 Cs 55 133 133 3.5332539 -0.00343 Ba 56 137 137 2.99295 0.245 135 2.6755 0.16 La 57 139 138 3.557239 0.45 139 3.8083318 0.2 Pr 59 141 141 8.1907 -0.0589 Nd 60 145 145 -0.898 -0.33 143 -1.457 -0.63 Sm 62 147 147 -1.115 -0.259 149 -0.9192 0.075 Eu 63 153 153 2.9369 2.412 151 6.651 0.903 Gd 64 155 155 -0.82132 1.27 157 -1.0769 1.35 Tb 65 159 159 6.431 1.432 Dy 66 161 161 -0.9201 2.507 163 1.289 2.648 Ho 67 165 165 5.71 3.58 Er 68 167 167 -0.77157 3.565 Tm 69 169 169 -2.218 -1.2 Yb 70 171 171 4.7288 0 173 -1.3025 2.8 Lu 71 176 176 2.1684 4.97 175 3.0552 3.49 Hf 72 179 177 1.086 3.365 179 -6.82E-08 3.793 Ta 73 181 181 3.2438 3.17 W 74 183 183 1.1282403 0 Re 75 187 185 6.1057 2.18 187 6.1682 2.07 Os 76 187 187 0.6192895 0 189 2.10713 0.856 Ir 77 193 193 0.5227 0.751 191 0.4812 0.816 Pt 78 195 195 5.8385 0 Au 79 197 197 0.47306 0.547 Hg 80 199 201 -1.788769 0.387 199 4.8457916 0 Tl 81 205 203 15.5393338 0 205 15.6921808 0 Pb 82 207 207 5.58046 0 Bi 83 209 209 4.375 -0.516 U 92 235 235 -0.52 4.936