============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 16 0.900 46.457 18.003 69.415 -99.200 -91.000 PHE 18 1.000 39.497 17.239 59.048 -99.200 -91.000 PHE 31 1.000 34.297 25.884 45.890 -99.200 -91.000 TYR 44 0.840 37.945 21.793 62.453 -99.200 -91.000 PHE 56 1.000 45.731 22.073 51.174 -99.200 -91.000 HIS 58 0.900 45.583 19.309 47.044 -99.200 -91.000 HIS 61 0.900 45.116 29.990 38.950 -99.200 -91.000 PHE 62 1.000 40.874 29.519 48.440 -99.200 -91.000 PHE 77 1.000 24.594 23.333 47.433 -99.200 -91.000 TYR 79 0.840 26.068 24.090 51.959 -99.200 -91.000 TRP 87 1.040 31.047 30.500 50.544 -99.200 -91.000 TRP6 87 1.020 31.401 28.388 49.573 -99.200 -91.000 TRP 107 1.040 38.261 34.844 39.090 -99.200 -91.000 TRP6 107 1.020 39.542 36.751 39.626 -99.200 -91.000 PHE 127 1.000 42.264 38.092 47.266 -99.200 -91.000 HIS 129 0.900 32.450 40.068 46.058 -99.200 -91.000 PHE 146 1.000 35.050 43.254 50.195 -99.200 -91.000 TRP 152 1.040 28.409 51.104 52.751 -99.200 -91.000 TRP6 152 1.020 26.980 49.268 53.074 -99.200 -91.000 TYR 157 0.840 38.497 47.120 45.441 -99.200 -91.000 PHE 164 1.000 39.880 42.826 46.268 -99.200 -91.000 TYR 190 0.840 49.436 33.554 61.313 -99.200 -91.000 PHE 210 1.000 31.864 32.082 65.015 -99.200 -91.000