============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 10 1.000 59.167 60.873 61.384 -99.200 -91.000 PHE 16 1.000 50.025 66.517 61.690 -99.200 -91.000 HIS 24 0.900 50.157 49.460 66.696 -99.200 -91.000 TYR 26 0.840 58.702 46.982 59.597 -99.200 -91.000 HIS 30 0.900 57.566 42.123 60.109 -99.200 -91.000 TYR 38 0.840 66.871 57.807 64.468 -99.200 -91.000 PHE 58 1.000 58.268 55.300 54.885 -99.200 -91.000 HIS 83 0.900 36.888 82.083 60.289 -99.200 -91.000 HIS 86 0.900 38.013 83.062 52.011 -99.200 -91.000 HIS 97 0.900 39.142 74.196 39.176 -99.200 -91.000 TYR 109 0.840 52.481 74.376 55.923 -99.200 -91.000 PHE 117 1.000 52.936 72.060 51.515 -99.200 -91.000 HIS 120 0.900 54.836 70.131 46.161 -99.200 -91.000 PHE 125 1.000 49.065 79.110 43.792 -99.200 -91.000 HIS 128 0.900 48.940 74.553 35.889 -99.200 -91.000 PHE 167 1.000 34.245 77.734 67.015 -99.200 -91.000 TYR 171 0.840 41.701 71.154 57.133 -99.200 -91.000 TYR 184 0.840 58.961 60.923 45.376 -99.200 -91.000 TYR 195 0.840 66.164 42.146 58.995 -99.200 -91.000 TYR 197 0.840 63.009 43.081 48.861 -99.200 -91.000 TYR 200 0.840 60.271 48.249 49.583 -99.200 -91.000 TYR 207 0.840 50.056 53.314 50.172 -99.200 -91.000 TYR 209 0.840 44.065 46.289 55.387 -99.200 -91.000 PHE 212 1.000 45.537 55.267 49.141 -99.200 -91.000 TRP 218 1.040 53.734 51.165 44.478 -99.200 -91.000 TRP6 218 1.020 52.644 50.409 46.425 -99.200 -91.000 HIS 221 0.900 56.638 41.179 45.713 -99.200 -91.000 HIS 222 0.900 64.810 36.766 44.772 -99.200 -91.000