============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. TRP 7 1.040 0.525 -14.812 3.483 -99.200 -91.000 TRP6 7 1.020 0.570 -12.767 2.295 -99.200 -91.000 PHE 8 1.000 -0.701 -12.810 -2.823 -99.200 -91.000 PHE 11 1.000 -5.313 -18.357 -8.715 -99.200 -91.000 TRP 22 1.040 11.010 -11.071 -7.252 -99.200 -91.000 TRP6 22 1.020 10.767 -9.317 -8.820 -99.200 -91.000 TRP 28 1.040 -2.605 -5.521 -6.444 -99.200 -91.000 TRP6 28 1.020 -3.259 -3.413 -7.300 -99.200 -91.000 TYR 32 0.840 -5.403 -7.713 3.093 -99.200 -91.000 TYR 40 0.840 3.387 -17.504 11.235 -99.200 -91.000 TYR 41 0.840 3.496 -12.363 10.893 -99.200 -91.000 PHE 53 1.000 15.022 9.881 9.444 -99.200 -91.000 TYR 58 0.840 9.120 18.227 4.636 -99.200 -91.000 HIS 61 0.900 3.214 22.974 6.594 -99.200 -91.000 TYR 62 0.840 3.454 17.650 5.346 -99.200 -91.000 PHE 66 1.000 3.857 8.619 9.599 -99.200 -91.000 HIS 73 0.900 -6.481 4.026 10.223 -99.200 -91.000 PHE 74 1.000 3.163 0.195 11.227 -99.200 -91.000 HIS 78 0.900 -0.001 -8.496 15.462 -99.200 -91.000 PHE 82 1.000 3.676 4.516 16.070 -99.200 -91.000 TYR 83 0.840 12.223 2.333 16.648 -99.200 -91.000 PHE 103 1.000 6.476 8.936 22.017 -99.200 -91.000 PHE 106 1.000 16.499 7.552 19.073 -99.200 -91.000 TRP 114 1.040 14.895 20.411 -1.224 -99.200 -91.000 TRP6 114 1.020 14.341 18.535 -2.551 -99.200 -91.000 HIS 128 0.900 18.750 6.235 15.536 -99.200 -91.000 HIS 132 0.900 17.302 2.250 18.628 -99.200 -91.000 HIS 135 0.900 20.480 -5.825 19.672 -99.200 -91.000 PHE 139 1.000 8.637 -9.315 10.056 -99.200 -91.000 PHE 141 1.000 6.365 -1.939 6.382 -99.200 -91.000 PHE 149 1.000 0.189 4.589 8.604 -99.200 -91.000 PHE 153 1.000 0.996 0.053 5.585 -99.200 -91.000 TRP 168 1.040 1.162 10.251 -9.517 -99.200 -91.000 TRP6 168 1.020 -0.195 11.595 -10.915 -99.200 -91.000 TRP 169 1.040 5.827 7.030 -12.509 -99.200 -91.000 TRP6 169 1.020 6.086 7.792 -14.729 -99.200 -91.000 TYR 170 0.840 -1.519 0.905 -10.740 -99.200 -91.000 PHE 177 1.000 8.598 1.529 -14.371 -99.200 -91.000 TYR 179 0.840 13.800 2.043 -13.158 -99.200 -91.000 TYR 188 0.840 22.972 3.378 -16.755 -99.200 -91.000 PHE 191 1.000 16.005 4.814 -21.421 -99.200 -91.000 PHE 196 1.000 6.600 -4.888 -10.550 -99.200 -91.000 TYR 197 0.840 10.177 5.304 -9.966 -99.200 -91.000 TYR 198 0.840 10.324 -1.971 -6.619 -99.200 -91.000 HIS 199 0.900 6.223 7.201 -3.154 -99.200 -91.000 PHE 203 1.000 13.254 2.313 3.037 -99.200 -91.000 PHE 218 1.000 25.011 8.116 3.595 -99.200 -91.000 TRP 233 1.040 12.847 11.459 -10.047 -99.200 -91.000 TRP6 233 1.020 11.464 13.219 -9.282 -99.200 -91.000 HIS 234 0.900 16.768 14.348 -5.017 -99.200 -91.000 HIS 238 0.900 21.719 6.609 -5.110 -99.200 -91.000 TYR 242 0.840 19.119 -3.199 -1.585 -99.200 -91.000 PHE 243 1.000 13.385 -2.516 -2.487 -99.200 -91.000 TYR 256 0.840 -1.374 -2.338 1.596 -99.200 -91.000 TRP 258 1.040 -4.999 6.629 -4.861 -99.200 -91.000 TRP6 258 1.020 -4.131 5.701 -6.854 -99.200 -91.000 TYR 260 0.840 -7.680 9.505 -1.734 -99.200 -91.000 HIS 261 0.900 -3.438 16.271 -8.903 -99.200 -91.000 TRP 275 1.040 1.319 9.689 -2.614 -99.200 -91.000 TRP6 275 1.020 2.528 10.498 -4.480 -99.200 -91.000 TYR 280 0.840 7.706 19.438 -3.245 -99.200 -91.000