============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 4 0.840 26.262 -33.267 134.404 -99.200 -91.000 PHE 5 1.000 25.347 -36.582 138.277 -99.200 -91.000 TYR 8 0.840 33.759 -33.054 133.351 -99.200 -91.000 HIS 12 0.900 31.623 -39.552 143.631 -99.200 -91.000 PHE 13 1.000 30.007 -34.155 138.420 -99.200 -91.000 HIS 14 0.900 25.001 -38.986 146.460 -99.200 -91.000 HIS 26 0.900 38.385 -37.995 142.410 -99.200 -91.000 PHE 34 1.000 43.938 -26.235 138.623 -99.200 -91.000 HIS 39 0.900 43.483 -23.179 133.604 -99.200 -91.000 PHE 42 1.000 38.464 -29.141 138.189 -99.200 -91.000 PHE 46 1.000 33.650 -25.631 138.120 -99.200 -91.000 TYR 47 0.840 27.813 -24.162 128.991 -99.200 -91.000 TRP 67 1.040 38.016 -26.258 148.150 -99.200 -91.000 TRP6 67 1.020 38.954 -24.832 146.509 -99.200 -91.000 PHE 73 1.000 53.582 -24.652 140.489 -99.200 -91.000 TRP 85 1.040 48.940 -16.808 129.824 -99.200 -91.000 TRP6 85 1.020 49.183 -17.768 131.969 -99.200 -91.000 TYR 89 0.840 43.085 -14.236 127.423 -99.200 -91.000 TRP 90 1.040 38.700 -19.583 124.995 -99.200 -91.000 TRP6 90 1.020 37.600 -21.586 125.595 -99.200 -91.000 HIS 117 0.900 43.454 -22.241 140.082 -99.200 -91.000 TYR 120 0.840 38.186 -23.215 140.543 -99.200 -91.000 PHE 135 1.000 39.597 -19.758 153.197 -99.200 -91.000 HIS 140 0.900 48.361 -16.543 141.129 -99.200 -91.000 HIS 152 0.900 42.503 -9.986 138.667 -99.200 -91.000 TRP 155 1.040 41.335 -14.249 147.855 -99.200 -91.000 TRP6 155 1.020 40.536 -14.750 150.051 -99.200 -91.000 TYR 162 0.840 41.627 0.852 150.843 -99.200 -91.000 TYR 166 0.840 49.195 -7.056 155.090 -99.200 -91.000 PHE 167 1.000 44.545 -13.411 151.024 -99.200 -91.000 PHE 169 1.000 50.966 -5.702 145.602 -99.200 -91.000 TYR 180 0.840 32.432 -16.792 162.296 -99.200 -91.000 HIS 186 0.900 29.565 -16.677 154.314 -99.200 -91.000 TRP 199 1.040 25.121 -33.290 151.437 -99.200 -91.000 TRP6 199 1.020 23.598 -33.953 149.751 -99.200 -91.000 TYR 215 0.840 13.954 -16.698 137.229 -99.200 -91.000 TYR 234 0.840 44.501 -4.540 132.096 -99.200 -91.000