============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TYR 2 0.840 32.617 -1.704 46.533 -99.200 -91.000 TYR 12 0.840 22.598 -5.247 20.483 -99.200 -91.000 TRP 37 1.040 10.084 -2.394 28.012 -99.200 -91.000 TRP6 37 1.020 8.009 -1.327 27.728 -99.200 -91.000 PHE 47 1.000 8.064 -5.290 23.976 -99.200 -91.000 TRP 59 1.040 12.516 8.211 27.879 -99.200 -91.000 TRP6 59 1.020 12.600 6.517 29.525 -99.200 -91.000 PHE 60 1.000 8.955 9.394 31.053 -99.200 -91.000 PHE 71 1.000 2.090 12.570 9.233 -99.200 -91.000 TRP 73 1.040 -0.311 4.964 3.117 -99.200 -91.000 TRP6 73 1.020 1.912 5.512 2.478 -99.200 -91.000 TYR 84 0.840 4.357 3.649 30.573 -99.200 -91.000 TYR 93 0.840 20.963 15.117 20.526 -99.200 -91.000 TYR 99 0.840 13.253 7.934 15.531 -99.200 -91.000 TYR 122 0.840 33.950 1.457 6.134 -99.200 -91.000 PHE 123 1.000 37.050 -4.107 12.818 -99.200 -91.000 TYR 136 0.840 36.221 -9.363 10.054 -99.200 -91.000 TYR 139 0.840 37.666 -11.449 20.693 -99.200 -91.000 PHE 140 1.000 33.010 -8.666 13.499 -99.200 -91.000 HIS 151 0.900 22.402 -17.335 8.382 -99.200 -91.000 TRP 156 1.040 8.025 -19.113 4.608 -99.200 -91.000 TRP6 156 1.020 8.512 -17.031 5.580 -99.200 -91.000 PHE 157 1.000 13.152 -13.350 0.209 -99.200 -91.000 TRP 162 1.040 3.025 -13.060 5.590 -99.200 -91.000 TRP6 162 1.020 1.907 -11.309 6.677 -99.200 -91.000 TYR 163 0.840 10.362 -11.455 4.455 -99.200 -91.000 PHE 165 1.000 9.372 -6.249 2.495 -99.200 -91.000 PHE 182 1.000 18.030 -14.477 0.709 -99.200 -91.000 TYR 187 0.840 10.553 -12.386 14.383 -99.200 -91.000 PHE 189 1.000 14.765 -14.674 9.216 -99.200 -91.000 TYR 191 0.840 6.924 -17.362 16.913 -99.200 -91.000 TYR 211 0.840 5.730 2.129 18.116 -99.200 -91.000 HIS 215 0.900 4.025 -13.781 20.857 -99.200 -91.000 TYR 224 0.840 26.002 -11.591 24.275 -99.200 -91.000 HIS 240 0.900 17.283 2.023 40.396 -99.200 -91.000 TYR 253 0.840 36.110 5.327 38.310 -99.200 -91.000 TYR 276 0.840 37.261 -4.228 38.867 -99.200 -91.000 PHE 278 1.000 33.521 -3.150 32.906 -99.200 -91.000 TRP 310 1.040 26.709 10.761 17.095 -99.200 -91.000 TRP6 310 1.020 25.234 11.515 15.439 -99.200 -91.000 HIS 323 0.900 7.287 0.937 -13.670 -99.200 -91.000 TRP 325 1.040 4.604 -2.859 -14.650 -99.200 -91.000 TRP6 325 1.020 3.976 -0.804 -15.612 -99.200 -91.000 HIS 331 0.900 -1.815 -9.255 4.247 -99.200 -91.000 TRP 343 1.040 30.858 -0.107 2.204 -99.200 -91.000 TRP6 343 1.020 29.891 1.684 3.319 -99.200 -91.000 PHE 351 1.000 24.319 -3.896 3.725 -99.200 -91.000 TRP 364 1.040 0.900 -0.148 -6.693 -99.200 -91.000 TRP6 364 1.020 -1.218 0.400 -5.936 -99.200 -91.000 TYR 368 0.840 14.584 1.050 -1.826 -99.200 -91.000 PHE 380 1.000 26.691 13.376 21.240 -99.200 -91.000 TYR 382 0.840 27.466 19.863 30.965 -99.200 -91.000 TRP 393 1.040 24.320 15.970 11.736 -99.200 -91.000 TRP6 393 1.020 26.187 14.758 10.886 -99.200 -91.000 PHE 409 1.000