============================================================================= 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. TRP 1 1.040 -78.504 23.621 48.213 -99.200 -91.000 TRP6 1 1.020 -79.056 23.230 45.956 -99.200 -91.000 HIS 7 0.900 -84.106 21.551 31.169 -99.200 -91.000 TRP 10 1.040 -81.864 22.168 27.465 -99.200 -91.000 TRP6 10 1.020 -79.793 22.537 28.571 -99.200 -91.000 PHE 15 1.000 -80.420 25.032 33.834 -99.200 -91.000 PHE 20 1.000 -79.017 28.338 46.396 -99.200 -91.000 TYR 28 0.840 -79.915 37.200 59.448 -99.200 -91.000 TRP 62 1.040 -78.893 47.629 45.990 -99.200 -91.000 TRP6 62 1.020 -78.366 46.005 44.387 -99.200 -91.000 PHE 63 1.000 -79.481 43.174 53.384 -99.200 -91.000 HIS 89 0.900 -71.269 35.672 42.632 -99.200 -91.000 HIS 96 0.900 -93.006 44.064 50.643 -99.200 -91.000 TYR 97 0.840 -91.519 42.307 42.885 -99.200 -91.000 HIS 98 0.900 -96.988 45.872 49.664 -99.200 -91.000 TYR 103 0.840 -87.971 44.888 36.738 -99.200 -91.000 HIS 106 0.900 -86.727 42.917 33.998 -99.200 -91.000 TYR 107 0.840 -84.433 41.198 26.728 -99.200 -91.000 TYR 109 0.840 -79.675 41.097 27.352 -99.200 -91.000 PHE 110 1.000 -76.511 46.570 33.658 -99.200 -91.000 HIS 111 0.900 -79.468 49.169 24.006 -99.200 -91.000 HIS 120 0.900 -69.352 50.529 36.224 -99.200 -91.000 TYR 131 0.840 -88.897 32.523 43.360 -99.200 -91.000 TRP 155 1.040 -99.448 27.814 36.276 -99.200 -91.000 TRP6 155 1.020 -97.315 28.130 37.227 -99.200 -91.000 PHE 175 1.000 -83.167 34.912 34.795 -99.200 -91.000 TYR 176 0.840 -76.443 30.007 32.773 -99.200 -91.000 HIS 190 0.900 -85.581 38.395 33.795 -99.200 -91.000 TRP 201 1.040 -91.085 40.238 52.114 -99.200 -91.000 TRP6 201 1.020 -89.854 42.199 52.560 -99.200 -91.000 TRP 206 1.040 -79.676 40.962 38.639 -99.200 -91.000 TRP6 206 1.020 -80.635 42.525 40.143 -99.200 -91.000 HIS 208 0.900 -71.981 42.599 36.485 -99.200 -91.000