============================================================================= 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 21.523 17.028 143.597 -99.200 -91.000 HIS 12 0.900 22.755 -1.113 151.929 -99.200 -91.000 PHE 19 1.000 35.875 2.052 160.401 -99.200 -91.000 PHE 24 1.000 31.915 7.183 154.679 -99.200 -91.000 TRP 35 1.040 41.072 -11.044 146.877 -99.200 -91.000 TRP6 35 1.020 43.132 -9.930 146.510 -99.200 -91.000 HIS 41 0.900 38.943 9.460 144.922 -99.200 -91.000 PHE 47 1.000 42.124 1.335 154.087 -99.200 -91.000 PHE 51 1.000 33.650 -6.185 154.729 -99.200 -91.000 HIS 54 0.900 19.709 0.680 155.567 -99.200 -91.000 PHE 72 1.000 47.855 -6.751 145.827 -99.200 -91.000 PHE 73 1.000 47.178 1.803 145.778 -99.200 -91.000 HIS 100 0.900 20.911 -6.877 157.294 -99.200 -91.000 TRP 122 1.040 26.226 5.449 154.602 -99.200 -91.000 TRP6 122 1.020 27.106 3.404 153.771 -99.200 -91.000 TYR 132 0.840 28.934 14.691 154.282 -99.200 -91.000 HIS 137 0.900 19.629 9.620 151.122 -99.200 -91.000 HIS 146 0.900 34.630 8.176 127.523 -99.200 -91.000 TYR 153 0.840 33.401 16.614 133.683 -99.200 -91.000 TRP 155 1.040 37.221 21.522 133.144 -99.200 -91.000 TRP6 155 1.020 37.854 20.132 134.945 -99.200 -91.000 HIS 176 0.900 34.585 15.104 149.347 -99.200 -91.000 PHE 177 1.000 33.956 12.428 153.102 -99.200 -91.000 PHE 189 1.000 32.088 -3.547 140.968 -99.200 -91.000 TRP 195 1.040 36.997 12.027 137.140 -99.200 -91.000 TRP6 195 1.020 36.574 13.926 135.789 -99.200 -91.000 HIS 198 0.900 35.173 20.906 141.491 -99.200 -91.000 TYR 209 0.840 29.712 6.804 138.074 -99.200 -91.000 PHE 213 1.000 34.485 -6.254 129.320 -99.200 -91.000 TYR 215 0.840 41.121 -0.397 135.085 -99.200 -91.000 TRP 218 1.040 45.975 -4.819 137.764 -99.200 -91.000 TRP6 218 1.020 44.798 -3.762 139.517 -99.200 -91.000