============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 1 1.000 -6.248 35.252 70.330 -99.200 -91.000 HIS 19 0.900 -17.243 43.272 59.547 -99.200 -91.000 HIS 50 0.900 -1.135 26.323 49.183 -99.200 -91.000 TYR 53 0.840 -10.856 23.786 52.933 -99.200 -91.000 PHE 63 1.000 -6.111 24.541 59.392 -99.200 -91.000 PHE 71 1.000 -13.914 23.476 57.863 -99.200 -91.000 HIS 76 0.900 -15.221 19.986 43.905 -99.200 -91.000 TYR 77 0.840 -18.129 19.615 40.638 -99.200 -91.000 HIS 86 0.900 -16.397 20.963 54.428 -99.200 -91.000 HIS 100 0.900 -14.410 28.815 69.566 -99.200 -91.000 TYR 103 0.840 -18.565 23.706 58.926 -99.200 -91.000 TYR 106 0.840 -28.547 24.090 54.087 -99.200 -91.000 PHE 108 1.000 -33.801 27.211 61.090 -99.200 -91.000 HIS 118 0.900 -28.393 14.409 53.543 -99.200 -91.000 HIS 120 0.900 -22.624 23.133 55.055 -99.200 -91.000 TYR 125 0.840 -23.585 14.414 64.135 -99.200 -91.000 TYR 134 0.840 -19.846 22.789 69.284 -99.200 -91.000 PHE 136 1.000 -20.781 22.644 65.092 -99.200 -91.000 TYR 142 0.840 -23.062 33.968 51.446 -99.200 -91.000 PHE 145 1.000 -27.245 32.754 43.814 -99.200 -91.000 PHE 146 1.000 -31.562 34.276 46.282 -99.200 -91.000 HIS 190 0.900 -20.796 34.516 71.072 -99.200 -91.000 TYR 195 0.840 -24.703 31.513 68.287 -99.200 -91.000 TRP 203 1.040 -36.112 38.483 50.944 -99.200 -91.000 TRP6 203 1.020 -35.798 37.878 48.678 -99.200 -91.000 PHE 205 1.000 -36.745 35.386 44.339 -99.200 -91.000 HIS 222 0.900 -41.511 35.639 41.256 -99.200 -91.000 PHE 227 1.000 -34.532 22.039 37.647 -99.200 -91.000 PHE 233 1.000 -34.908 34.288 31.278 -99.200 -91.000 PHE 242 1.000 -24.163 31.381 38.434 -99.200 -91.000 TYR 250 0.840 -33.923 31.667 41.163 -99.200 -91.000