============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. HIS 7 0.900 134.977 140.794 -3.024 -99.200 -91.000 HIS 12 0.900 138.140 139.053 3.530 -99.200 -91.000 HIS 22 0.900 112.444 126.854 11.942 -99.200 -91.000 PHE 32 1.000 125.669 136.762 14.276 -99.200 -91.000 PHE 52 1.000 101.038 128.475 -9.900 -99.200 -91.000 TYR 55 0.840 109.141 123.801 0.047 -99.200 -91.000 PHE 62 1.000 110.639 134.407 2.515 -99.200 -91.000 PHE 65 1.000 107.982 133.482 7.720 -99.200 -91.000 PHE 67 1.000 109.218 143.857 4.970 -99.200 -91.000 PHE 75 1.000 117.935 143.589 10.694 -99.200 -91.000 HIS 86 0.900 119.784 127.486 -8.164 -99.200 -91.000 TRP 92 1.040 105.781 125.291 -11.986 -99.200 -91.000 TRP6 92 1.020 106.759 127.407 -11.525 -99.200 -91.000 TYR 110 0.840 110.421 135.044 -5.636 -99.200 -91.000 PHE 115 1.000 110.948 138.211 -2.436 -99.200 -91.000 HIS 119 0.900 120.709 131.597 -9.196 -99.200 -91.000 PHE 146 1.000 110.824 141.936 -22.732 -99.200 -91.000 TYR 162 0.840 118.174 141.262 -13.332 -99.200 -91.000 HIS 171 0.900 133.737 118.453 -6.995 -99.200 -91.000 HIS 174 0.900 137.165 122.237 -16.641 -99.200 -91.000 HIS 185 0.900 123.515 133.359 -19.037 -99.200 -91.000 PHE 189 1.000 120.464 138.559 -19.575 -99.200 -91.000 PHE 212 1.000 125.583 120.490 2.148 -99.200 -91.000 HIS 214 0.900 123.214 111.476 2.155 -99.200 -91.000 HIS 219 0.900 136.102 120.311 5.227 -99.200 -91.000 TYR 220 0.840 137.905 127.746 -1.466 -99.200 -91.000 TRP 231 1.040 137.195 134.870 -16.633 -99.200 -91.000 TRP6 231 1.020 134.901 134.941 -16.022 -99.200 -91.000 TYR 238 0.840 133.887 133.308 -9.647 -99.200 -91.000 HIS 241 0.900 123.719 128.930 -5.486 -99.200 -91.000 TYR 245 0.840 126.353 121.149 7.014 -99.200 -91.000 TYR 251 0.840 131.852 129.372 5.884 -99.200 -91.000 TRP 252 1.040 139.656 136.324 6.005 -99.200 -91.000 TRP6 252 1.020 141.642 136.215 4.704 -99.200 -91.000 HIS 258 0.900 138.488 138.463 -5.846 -99.200 -91.000 PHE 259 1.000 134.779 131.423 -5.351 -99.200 -91.000 PHE 270 1.000 123.809 118.966 10.961 -99.200 -91.000 PHE 277 1.000 116.928 115.116 16.272 -99.200 -91.000 TYR 308 0.840 108.427 117.458 1.025 -99.200 -91.000 TRP 309 1.040 112.500 110.711 4.584 -99.200 -91.000 TRP6 309 1.020 113.178 108.459 4.323 -99.200 -91.000 TYR 312 0.840 117.861 114.880 -1.376 -99.200 -91.000 TYR 313 0.840 118.167 111.433 4.545 -99.200 -91.000 PHE 317 1.000 113.367 100.919 10.683 -99.200 -91.000 TYR 326 0.840 122.114 111.323 14.634 -99.200 -91.000 TYR 334 0.840 112.920 120.417 2.109 -99.200 -91.000 TYR 335 0.840 109.427 115.270 6.304 -99.200 -91.000 TRP 336 1.040 112.579 121.415 11.480 -99.200 -91.000 TRP6 336 1.020 112.656 120.217 13.525 -99.200 -91.000 HIS 338 0.900 102.895 116.312 9.689 -99.200 -91.000 TYR 362 0.840 121.710 115.193 26.971 -99.200 -91.000 PHE 367 1.000 128.657 123.872 31.765 -99.200 -91.000 HIS 380 0.900 113.523 132.144 21.422 -99.200 -91.000 TYR 387 0.840 122.273 134.514 17.945 -99.200 -91.000 TYR 393 0.840