============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 10 1.000 54.510 59.236 158.822 -99.200 -91.000 PHE 18 1.000 52.348 61.294 163.486 -99.200 -91.000 TYR 23 0.840 59.685 58.663 164.729 -99.200 -91.000 PHE 25 1.000 62.501 60.173 172.036 -99.200 -91.000 TYR 30 0.840 63.552 56.707 180.724 -99.200 -91.000 TYR 34 0.840 52.454 51.850 192.195 -99.200 -91.000 TYR 57 0.840 53.058 57.530 187.710 -99.200 -91.000 PHE 59 1.000 56.420 61.350 188.145 -99.200 -91.000 PHE 67 1.000 57.855 62.291 167.966 -99.200 -91.000 TYR 70 0.840 58.134 64.427 174.024 -99.200 -91.000 PHE 81 1.000 52.262 37.921 173.030 -99.200 -91.000 TYR 88 0.840 48.921 46.935 178.399 -99.200 -91.000 PHE 92 1.000 47.907 60.565 181.859 -99.200 -91.000 TRP 106 1.040 56.213 53.399 167.991 -99.200 -91.000 TRP6 106 1.020 56.643 55.645 167.426 -99.200 -91.000 PHE 108 1.000 54.719 54.562 172.758 -99.200 -91.000 HIS 120 0.900 61.861 71.387 192.675 -99.200 -91.000 PHE 130 1.000 43.763 64.876 182.313 -99.200 -91.000 TYR 141 0.840 71.212 64.949 191.987 -99.200 -91.000 TYR 143 0.840 70.529 59.264 199.195 -99.200 -91.000 PHE 160 1.000 55.117 42.308 174.374 -99.200 -91.000 HIS 167 0.900 35.669 52.169 158.968 -99.200 -91.000 TYR 180 0.840 57.840 50.770 172.575 -99.200 -91.000 HIS 181 0.900 62.576 44.887 171.248 -99.200 -91.000 TRP 191 1.040 73.580 58.172 189.694 -99.200 -91.000 TRP6 191 1.020 72.842 59.271 187.744 -99.200 -91.000 HIS 200 0.900 47.093 63.336 195.190 -99.200 -91.000 HIS 202 0.900 41.108 64.172 186.204 -99.200 -91.000 HIS 220 0.900 68.072 60.932 188.284 -99.200 -91.000 PHE 221 1.000 66.640 54.807 183.229 -99.200 -91.000 PHE 234 1.000 46.009 37.697 169.573 -99.200 -91.000 TYR 236 0.840 43.738 41.827 171.040 -99.200 -91.000