============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 3 1.000 45.866 24.666 21.648 -99.200 -91.000 TYR 12 0.840 29.786 35.001 8.554 -99.200 -91.000 PHE 40 1.000 21.977 42.650 16.900 -99.200 -91.000 HIS 43 0.900 16.064 35.187 5.303 -99.200 -91.000 HIS 45 0.900 19.762 39.194 1.055 -99.200 -91.000 PHE 47 1.000 30.551 34.027 1.323 -99.200 -91.000 TYR 69 0.840 39.845 20.098 7.048 -99.200 -91.000 HIS 73 0.900 43.030 20.316 18.741 -99.200 -91.000 TRP 74 1.040 36.528 22.974 16.665 -99.200 -91.000 TRP6 74 1.020 35.545 24.415 15.072 -99.200 -91.000 PHE 86 1.000 57.819 35.130 15.993 -99.200 -91.000 PHE 89 1.000 51.981 36.263 20.650 -99.200 -91.000 TRP 124 1.040 21.941 46.949 14.509 -99.200 -91.000 TRP6 124 1.020 22.568 48.596 12.964 -99.200 -91.000 PHE 129 1.000 17.935 46.540 7.445 -99.200 -91.000 HIS 130 0.900 26.627 47.952 8.140 -99.200 -91.000 TYR 133 0.840 27.005 48.009 -2.462 -99.200 -91.000 HIS 135 0.900 20.553 43.070 5.490 -99.200 -91.000 TYR 137 0.840 16.979 43.090 -5.420 -99.200 -91.000 HIS 155 0.900 30.513 57.615 0.518 -99.200 -91.000 HIS 156 0.900 24.914 55.105 5.047 -99.200 -91.000 TRP 163 1.040 20.262 49.416 -2.903 -99.200 -91.000 TRP6 163 1.020 22.404 50.361 -2.980 -99.200 -91.000 PHE 168 1.000 21.873 63.362 4.782 -99.200 -91.000 PHE 169 1.000 14.406 61.286 7.824 -99.200 -91.000 HIS 181 0.900 20.657 73.406 -1.306 -99.200 -91.000 HIS 202 0.900 9.567 47.738 8.621 -99.200 -91.000 PHE 219 1.000 19.834 51.027 4.263 -99.200 -91.000 TRP 230 1.040 41.933 40.876 25.487 -99.200 -91.000 TRP6 230 1.020 42.381 40.275 23.241 -99.200 -91.000 PHE 261 1.000 50.275 36.571 11.136 -99.200 -91.000 HIS 288 0.900 51.423 26.432 6.750 -99.200 -91.000 PHE 293 1.000 59.096 29.856 4.187 -99.200 -91.000