============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 24 1.000 -14.249 -4.989 28.564 -99.200 -91.000 PHE 27 1.000 -14.066 -2.245 25.055 -99.200 -91.000 TRP 38 1.040 -4.239 -7.931 31.053 -99.200 -91.000 TRP6 38 1.020 -4.748 -6.487 32.861 -99.200 -91.000 TRP 47 1.040 1.294 -7.921 24.144 -99.200 -91.000 TRP6 47 1.020 1.849 -10.136 23.533 -99.200 -91.000 HIS 50 0.900 -4.003 -8.191 22.414 -99.200 -91.000 TRP 52 1.040 -7.164 -11.664 19.449 -99.200 -91.000 TRP6 52 1.020 -7.437 -10.298 17.553 -99.200 -91.000 TRP 53 1.040 -13.503 -11.665 17.923 -99.200 -91.000 TRP6 53 1.020 -15.028 -13.085 16.821 -99.200 -91.000 TYR 58 0.840 -2.725 -14.702 19.324 -99.200 -91.000 TYR 59 0.840 -1.018 -16.722 27.490 -99.200 -91.000 PHE 79 1.000 -11.907 -12.056 34.959 -99.200 -91.000 TYR 93 0.840 1.645 -5.804 36.296 -99.200 -91.000 TYR 94 0.840 0.007 1.709 31.901 -99.200 -91.000 TYR 104 0.840 -5.899 2.488 15.480 -99.200 -91.000 PHE 105 1.000 -2.141 -2.510 22.465 -99.200 -91.000 TYR 107 0.840 -10.729 4.594 22.930 -99.200 -91.000 TRP 108 1.040 -2.695 2.703 25.683 -99.200 -91.000 TRP6 108 1.020 -0.749 1.495 26.285 -99.200 -91.000 TYR 127 0.840 18.977 8.713 60.321 -99.200 -91.000 TYR 146 0.840 10.185 5.694 52.263 -99.200 -91.000 PHE 147 1.000 6.971 -2.163 51.592 -99.200 -91.000 TRP 155 1.040 13.376 21.003 52.368 -99.200 -91.000 TRP6 155 1.020 15.071 20.514 53.937 -99.200 -91.000 HIS 165 0.900 17.284 20.408 42.592 -99.200 -91.000 PHE 167 1.000 18.266 14.458 44.483 -99.200 -91.000 TYR 176 0.840 10.049 1.670 48.236 -99.200 -91.000 TRP 189 1.040 20.941 26.261 58.559 -99.200 -91.000 TRP6 189 1.020 23.158 25.463 58.606 -99.200 -91.000 HIS 200 0.900 5.854 5.481 55.605 -99.200 -91.000