============================================================================= 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 49.268-163.682 39.598 -99.200 -91.000 TYR 5 0.840 53.862-162.307 31.246 -99.200 -91.000 PHE 20 1.000 86.370-162.203 19.286 -99.200 -91.000 TYR 33 0.840 61.668-145.902 40.973 -99.200 -91.000 TYR 39 0.840 77.876-162.355 40.874 -99.200 -91.000 PHE 44 1.000 72.337-168.449 33.969 -99.200 -91.000 PHE 57 1.000 58.310-162.800 35.264 -99.200 -91.000 PHE 68 1.000 69.828-174.110 24.454 -99.200 -91.000 TRP 74 1.040 66.186-185.332 27.821 -99.200 -91.000 TRP6 74 1.020 65.808-187.662 27.964 -99.200 -91.000 TYR 75 0.840 71.579-182.529 19.134 -99.200 -91.000 HIS 76 0.900 75.296-183.091 24.710 -99.200 -91.000 PHE 77 1.000 70.798-188.600 28.551 -99.200 -91.000 HIS 79 0.900 69.801-186.697 17.757 -99.200 -91.000 HIS 95 0.900 60.378-175.310 16.248 -99.200 -91.000 TYR 98 0.840 54.787-169.251 17.096 -99.200 -91.000 PHE 102 1.000 48.382-168.197 20.389 -99.200 -91.000 PHE 103 1.000 51.130-167.257 30.881 -99.200 -91.000 TYR 105 0.840 59.161-169.784 28.433 -99.200 -91.000 TYR 106 0.840 57.496-158.707 29.136 -99.200 -91.000 HIS 108 0.900 66.579-159.410 23.036 -99.200 -91.000 TYR 123 0.840 72.149-167.852 15.315 -99.200 -91.000 PHE 125 1.000 66.924-167.147 19.783 -99.200 -91.000 TYR 131 0.840 65.982-168.501 14.531 -99.200 -91.000 PHE 149 1.000 79.913-146.868 22.182 -99.200 -91.000 PHE 156 1.000 84.634-149.597 12.077 -99.200 -91.000 TYR 160 0.840 80.183-141.363 4.629 -99.200 -91.000 TYR 173 0.840 84.128-157.972 13.174 -99.200 -91.000 PHE 187 1.000 76.814-154.095 29.790 -99.200 -91.000 HIS 194 0.900 67.802-148.023 32.295 -99.200 -91.000 PHE 215 1.000 82.034-158.895 38.828 -99.200 -91.000 TYR 216 0.840 86.288-156.286 33.305 -99.200 -91.000