============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 20 0.840 122.070 1.594 60.390 -99.200 -91.000 PHE 33 1.000 116.333 4.342 80.130 -99.200 -91.000 HIS 49 0.900 120.040 -9.644 63.856 -99.200 -91.000 PHE 54 1.000 126.981 -0.921 58.457 -99.200 -91.000 TYR 66 0.840 117.298 6.334 83.463 -99.200 -91.000 PHE 94 1.000 105.738 23.718 84.051 -99.200 -91.000 TYR 110 0.840 122.506 3.485 87.958 -99.200 -91.000 PHE 115 1.000 130.135 16.716 75.924 -99.200 -91.000 HIS 129 0.900 115.028 21.185 84.572 -99.200 -91.000 PHE 130 1.000 121.119 16.028 82.313 -99.200 -91.000 HIS 138 0.900 128.001 25.348 85.438 -99.200 -91.000 PHE 153 1.000 124.256 30.268 57.347 -99.200 -91.000 PHE 156 1.000 119.204 24.932 53.320 -99.200 -91.000 HIS 160 0.900 123.852 31.556 45.156 -99.200 -91.000 PHE 161 1.000 128.763 31.316 46.980 -99.200 -91.000 HIS 176 0.900 115.087 26.037 70.926 -99.200 -91.000 PHE 196 1.000 132.261 34.022 47.301 -99.200 -91.000 HIS 213 0.900 116.283 26.242 52.048 -99.200 -91.000 TRP 218 1.040 110.507 23.126 61.857 -99.200 -91.000 TRP6 218 1.020 110.177 25.466 61.739 -99.200 -91.000 TYR 231 0.840 113.974 10.015 60.533 -99.200 -91.000 PHE 232 1.000 117.154 9.126 57.596 -99.200 -91.000 TYR 245 0.840 133.900 13.735 76.437 -99.200 -91.000 PHE 258 1.000 127.628 28.399 82.900 -99.200 -91.000 HIS 262 0.900 134.000 33.197 76.077 -99.200 -91.000 TYR 263 0.840 129.195 35.247 71.229 -99.200 -91.000 TYR 269 0.840 124.652 25.228 80.092 -99.200 -91.000