============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 5 0.840 -20.105 -23.218 63.371 -99.200 -91.000 TYR 10 0.840 -36.335 -27.592 63.337 -99.200 -91.000 HIS 29 0.900 -14.607 -16.523 54.621 -99.200 -91.000 TYR 33 0.840 -23.584 -12.568 50.439 -99.200 -91.000 TRP 34 1.040 -28.771 -12.538 58.530 -99.200 -91.000 TRP6 34 1.020 -29.752 -14.464 59.486 -99.200 -91.000 TYR 35 0.840 -29.106 -15.079 50.333 -99.200 -91.000 HIS 44 0.900 -37.906 -13.766 47.438 -99.200 -91.000 HIS 47 0.900 -31.702 -7.061 56.676 -99.200 -91.000 TYR 48 0.840 -25.477 -5.723 50.186 -99.200 -91.000 TYR 50 0.840 -20.071 -4.703 50.224 -99.200 -91.000 HIS 73 0.900 -20.864 -13.953 67.279 -99.200 -91.000 PHE 74 1.000 -25.064 -9.739 58.652 -99.200 -91.000 HIS 85 0.900 -42.254 -10.703 60.988 -99.200 -91.000 TYR 89 0.840 -36.581 -15.441 58.648 -99.200 -91.000 TYR 102 0.840 -12.443 -13.323 47.001 -99.200 -91.000 TYR 105 0.840 -17.032 -21.131 52.265 -99.200 -91.000 PHE 106 1.000 -26.165 -19.978 50.298 -99.200 -91.000 PHE 122 1.000 -51.390 -28.558 73.273 -99.200 -91.000 PHE 129 1.000 -50.549 -47.209 65.023 -99.200 -91.000 HIS 138 0.900 -49.328 -61.033 48.786 -99.200 -91.000 PHE 151 1.000 -45.847 -33.104 64.956 -99.200 -91.000 TYR 152 0.840 -48.344 -24.357 66.037 -99.200 -91.000 HIS 155 0.900 -40.616 -25.146 64.533 -99.200 -91.000 TRP 160 1.040 -38.409 -45.763 61.878 -99.200 -91.000 TRP6 160 1.020 -40.106 -47.005 62.974 -99.200 -91.000 TRP 161 1.040 -32.699 -43.908 67.521 -99.200 -91.000 TRP6 161 1.020 -30.476 -43.344 68.113 -99.200 -91.000 HIS 168 0.900 -29.675 -42.868 58.932 -99.200 -91.000 TYR 189 0.840 -48.298 -28.323 61.569 -99.200 -91.000 PHE 201 1.000 -33.200 -57.441 62.553 -99.200 -91.000 TRP 202 1.040 -42.607 -58.787 63.162 -99.200 -91.000 TRP6 202 1.020 -42.756 -57.087 64.798 -99.200 -91.000 HIS 208 0.900 -36.267 -51.650 72.295 -99.200 -91.000 PHE 209 1.000 -37.931 -54.273 65.415 -99.200 -91.000 PHE 215 1.000 -42.532 -30.034 70.330 -99.200 -91.000 TYR 216 0.840 -35.120 -29.391 67.542 -99.200 -91.000 TRP 224 1.040 -46.499 -23.942 80.656 -99.200 -91.000 TRP6 224 1.020 -47.302 -23.892 78.435 -99.200 -91.000 TRP 241 1.040 -39.506 -55.344 73.747 -99.200 -91.000 TRP6 241 1.020 -37.228 -55.915 73.998 -99.200 -91.000