============================================================================= 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 2 1.000 48.994-163.619 39.701 -99.200 -91.000 TYR 5 0.840 53.467-162.072 31.478 -99.200 -91.000 PHE 20 1.000 86.387-162.659 20.187 -99.200 -91.000 TYR 33 0.840 61.172-146.181 41.207 -99.200 -91.000 TYR 39 0.840 77.611-162.531 41.138 -99.200 -91.000 PHE 44 1.000 72.109-168.661 34.110 -99.200 -91.000 PHE 57 1.000 57.966-162.924 35.672 -99.200 -91.000 PHE 68 1.000 69.543-174.116 24.457 -99.200 -91.000 TRP 74 1.040 65.649-185.305 27.726 -99.200 -91.000 TRP6 74 1.020 65.244-187.633 27.865 -99.200 -91.000 TYR 75 0.840 71.199-182.546 19.138 -99.200 -91.000 HIS 76 0.900 74.857-183.174 24.711 -99.200 -91.000 PHE 77 1.000 70.278-188.543 28.523 -99.200 -91.000 HIS 79 0.900 69.423-186.619 17.757 -99.200 -91.000 HIS 95 0.900 60.059-175.111 16.316 -99.200 -91.000 TYR 98 0.840 54.609-168.872 17.088 -99.200 -91.000 PHE 102 1.000 48.218-167.994 20.259 -99.200 -91.000 PHE 103 1.000 50.771-167.254 30.760 -99.200 -91.000 TYR 105 0.840 58.854-169.383 28.386 -99.200 -91.000 TYR 106 0.840 55.323-159.893 29.399 -99.200 -91.000 HIS 108 0.900 63.008-157.966 24.749 -99.200 -91.000 TYR 123 0.840 72.190-167.941 15.443 -99.200 -91.000 PHE 125 1.000 66.798-167.016 19.929 -99.200 -91.000 TYR 131 0.840 66.043-168.268 14.612 -99.200 -91.000 PHE 149 1.000 79.824-147.578 22.385 -99.200 -91.000 PHE 156 1.000 84.456-150.569 12.099 -99.200 -91.000 TYR 160 0.840 80.194-142.394 4.629 -99.200 -91.000 TYR 173 0.840 84.191-158.533 13.138 -99.200 -91.000 PHE 187 1.000 76.753-154.532 30.117 -99.200 -91.000 HIS 194 0.900 67.390-148.529 32.492 -99.200 -91.000 PHE 215 1.000 81.736-159.158 39.194 -99.200 -91.000 TYR 216 0.840 86.246-156.517 33.766 -99.200 -91.000