============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 30 0.840 61.688 37.436 74.656 -99.200 -91.000 TYR 36 0.840 57.182 36.410 70.191 -99.200 -91.000 TRP 39 1.040 57.139 30.844 57.394 -99.200 -91.000 TRP6 39 1.020 59.011 30.729 55.956 -99.200 -91.000 TYR 53 0.840 49.122 32.074 64.549 -99.200 -91.000 PHE 66 1.000 50.129 27.701 51.669 -99.200 -91.000 PHE 75 1.000 62.547 29.249 63.027 -99.200 -91.000 TYR 90 0.840 54.425 31.470 49.489 -99.200 -91.000 TYR 91 0.840 58.224 39.439 51.156 -99.200 -91.000 HIS 97 0.900 67.290 38.664 68.673 -99.200 -91.000 PHE 98 1.000 62.507 47.712 68.206 -99.200 -91.000 PHE 102 1.000 58.654 42.106 57.158 -99.200 -91.000 PHE 122 1.000 66.086 46.861 18.144 -99.200 -91.000 PHE 139 1.000 63.546 45.726 22.981 -99.200 -91.000 PHE 143 1.000 65.663 35.884 29.805 -99.200 -91.000 TYR 144 0.840 62.502 28.384 33.147 -99.200 -91.000 TRP 152 1.040 74.314 47.580 27.465 -99.200 -91.000 TRP6 152 1.020 73.649 47.934 25.228 -99.200 -91.000 TRP 167 1.040 65.364 41.456 34.541 -99.200 -91.000 TRP6 167 1.020 66.525 43.150 35.718 -99.200 -91.000 TYR 177 0.840 61.055 34.346 34.366 -99.200 -91.000 TYR 190 0.840 75.847 56.462 19.236 -99.200 -91.000 HIS 193 0.900 83.710 54.944 23.095 -99.200 -91.000 TYR 196 0.840 78.162 52.310 20.936 -99.200 -91.000 HIS 202 0.900 69.428 31.627 29.822 -99.200 -91.000 PHE 213 1.000 74.849 49.721 17.445 -99.200 -91.000