============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 7 1.000 58.104-212.096 27.615 -99.200 -91.000 PHE 14 1.000 54.038-218.268 22.509 -99.200 -91.000 TYR 18 0.840 53.333-217.712 16.470 -99.200 -91.000 HIS 65 0.900 69.107-187.521 5.205 -99.200 -91.000 HIS 83 0.900 57.235-192.752 13.754 -99.200 -91.000 HIS 91 0.900 66.715-184.037 14.116 -99.200 -91.000 TYR 94 0.840 59.537-179.976 16.202 -99.200 -91.000 TYR 95 0.840 66.479-180.726 17.620 -99.200 -91.000 PHE 115 1.000 53.469-206.251 19.634 -99.200 -91.000 PHE 130 1.000 54.275-201.720 12.297 -99.200 -91.000 HIS 139 0.900 76.584-189.057 3.774 -99.200 -91.000 TYR 145 0.840 78.072-192.906 1.311 -99.200 -91.000 PHE 148 1.000 71.637-198.088 11.048 -99.200 -91.000 HIS 149 0.900 67.073-207.170 9.227 -99.200 -91.000 PHE 156 1.000 68.692-199.585 15.580 -99.200 -91.000 TYR 157 0.840 71.908-206.954 15.624 -99.200 -91.000 TYR 159 0.840 72.900-207.085 9.330 -99.200 -91.000 TRP 179 1.040 80.617-205.424 2.085 -99.200 -91.000 TRP6 179 1.020 82.133-204.914 3.826 -99.200 -91.000 HIS 180 0.900 86.000-206.193 -1.787 -99.200 -91.000 PHE 218 1.000 65.831-193.875 -2.308 -99.200 -91.000 TYR 221 0.840 70.845-197.373 -9.574 -99.200 -91.000