============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.493 7.408 18.295 -99.200 -91.000 TRP6 14 1.020 7.309 9.317 19.001 -99.200 -91.000 PHE 19 1.000 12.621 -4.364 2.850 -99.200 -91.000 TRP 37 1.040 23.116 11.261 14.025 -99.200 -91.000 TRP6 37 1.020 24.898 9.702 13.968 -99.200 -91.000 HIS 43 0.900 19.272 -7.878 19.136 -99.200 -91.000 TYR 47 0.840 24.187 -13.374 18.678 -99.200 -91.000 TRP 49 1.040 22.494 -17.166 16.316 -99.200 -91.000 TRP6 49 1.020 20.423 -16.122 16.729 -99.200 -91.000 PHE 53 1.000 22.393 -8.085 8.368 -99.200 -91.000 HIS 65 0.900 -1.033 1.542 9.972 -99.200 -91.000 TYR 70 0.840 7.224 2.758 -2.167 -99.200 -91.000 TYR 84 0.840 29.204 6.176 13.625 -99.200 -91.000 HIS 86 0.900 28.630 1.017 24.362 -99.200 -91.000 TYR 89 0.840 26.445 -6.408 20.754 -99.200 -91.000 TRP 91 1.040 30.139 -9.966 20.116 -99.200 -91.000 TRP6 91 1.020 31.151 -12.078 19.801 -99.200 -91.000 PHE 110 1.000 12.288 15.634 11.600 -99.200 -91.000 TYR 113 0.840 1.314 10.348 7.332 -99.200 -91.000 HIS 115 0.900 8.042 15.302 15.563 -99.200 -91.000 TYR 132 0.840 5.927 5.584 37.454 -99.200 -91.000 TRP 139 1.040 5.498 -2.773 10.829 -99.200 -91.000 TRP6 139 1.020 7.026 -0.989 10.962 -99.200 -91.000 PHE 177 1.000 13.735 -0.678 30.444 -99.200 -91.000 TYR 181 0.840 0.401 -6.183 31.905 -99.200 -91.000 PHE 200 1.000 9.390 0.191 28.048 -99.200 -91.000 PHE 206 1.000 7.067 14.732 36.108 -99.200 -91.000 TRP 210 1.040 4.398 10.094 23.112 -99.200 -91.000 TRP6 210 1.020 3.616 8.095 24.085 -99.200 -91.000 TYR 211 0.840 11.417 12.765 27.432 -99.200 -91.000 TRP 218 1.040 18.426 -9.891 26.910 -99.200 -91.000 TRP6 218 1.020 17.891 -11.542 28.493 -99.200 -91.000 TYR 228 0.840 8.584 -10.799 34.141 -99.200 -91.000 PHE 230 1.000 15.600 -9.429 31.161 -99.200 -91.000 TYR 231 0.840 11.731 -4.003 26.515 -99.200 -91.000 HIS 233 0.900 18.531 2.607 32.309 -99.200 -91.000 PHE 235 1.000 20.591 9.055 32.171 -99.200 -91.000 TRP 240 1.040 28.821 4.591 22.114 -99.200 -91.000 TRP6 240 1.020 26.974 4.009 20.758 -99.200 -91.000 PHE 248 1.000 32.447 9.246 14.356 -99.200 -91.000