============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TRP 13 1.040 52.505 -4.193 24.458 -99.200 -91.000 TRP6 13 1.020 52.875 -1.885 24.159 -99.200 -91.000 TYR 16 0.840 40.040 -4.890 27.784 -99.200 -91.000 TRP 33 1.040 43.191 -0.694 29.111 -99.200 -91.000 TRP6 33 1.020 41.220 -0.566 30.399 -99.200 -91.000 TYR 34 0.840 48.430 -0.872 22.502 -99.200 -91.000 PHE 47 1.000 59.102 -1.815 20.341 -99.200 -91.000 PHE 63 1.000 56.323 10.256 21.096 -99.200 -91.000 TRP 76 1.040 55.630 1.092 30.032 -99.200 -91.000 TRP6 76 1.020 55.985 1.998 27.867 -99.200 -91.000 PHE 79 1.000 57.734 7.167 30.684 -99.200 -91.000 TYR 83 0.840 68.232 10.268 18.504 -99.200 -91.000 TRP 90 1.040 66.643 1.617 18.914 -99.200 -91.000 TRP6 90 1.020 64.745 2.862 18.251 -99.200 -91.000 TYR 96 0.840 60.460 11.153 29.973 -99.200 -91.000 PHE 112 1.000 63.481 16.184 20.557 -99.200 -91.000 TYR 120 0.840 63.218 3.284 12.175 -99.200 -91.000 TRP 132 1.040 46.057 -5.821 31.113 -99.200 -91.000 TRP6 132 1.020 43.803 -6.048 30.494 -99.200 -91.000 PHE 135 1.000 51.163 3.633 25.550 -99.200 -91.000 PHE 138 1.000 52.569 7.200 21.201 -99.200 -91.000