============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 29 1.000 -1.089 -0.270 -8.902 -99.200 -91.000 TYR 32 0.840 2.738 1.694 -15.941 -99.200 -91.000 TRP 33 1.040 0.224 -6.392 -18.357 -99.200 -91.000 TRP6 33 1.020 1.201 -7.994 -19.788 -99.200 -91.000 TRP 36 1.040 2.924 -9.514 -5.040 -99.200 -91.000 TRP6 36 1.020 3.890 -8.169 -3.360 -99.200 -91.000 TRP 47 1.040 6.326 -13.957 -12.290 -99.200 -91.000 TRP6 47 1.020 4.892 -15.694 -12.962 -99.200 -91.000 TYR 58 0.840 -9.083 -5.218 -12.036 -99.200 -91.000 TYR 61 0.840 -1.665 -14.158 -16.734 -99.200 -91.000 TYR 62 0.840 -2.113 -16.697 -8.741 -99.200 -91.000 PHE 70 1.000 2.368 -17.495 -2.042 -99.200 -91.000 TYR 82 0.840 -4.023 -4.709 -1.376 -99.200 -91.000 TYR 95 0.840 7.303 -13.588 -0.578 -99.200 -91.000 TYR 96 0.840 13.207 -7.762 -3.810 -99.200 -91.000 PHE 98 1.000 10.231 -7.403 -12.728 -99.200 -91.000 TYR 103 0.840 9.590 1.966 -13.383 -99.200 -91.000 TRP 104 1.040 13.432 -5.417 -10.172 -99.200 -91.000 TRP6 104 1.020 13.119 -7.636 -9.449 -99.200 -91.000 TYR 123 0.840 25.345 -9.866 26.452 -99.200 -91.000 TYR 140 0.840 18.886 -10.748 16.252 -99.200 -91.000 PHE 141 1.000 13.289 -16.695 14.362 -99.200 -91.000 TRP 149 1.040 28.489 1.502 16.079 -99.200 -91.000 TRP6 149 1.020 29.276 0.778 18.189 -99.200 -91.000 HIS 159 0.900 34.126 -3.095 8.369 -99.200 -91.000 PHE 161 1.000 31.710 -8.066 10.997 -99.200 -91.000 TYR 170 0.840 18.272 -14.840 12.339 -99.200 -91.000 TRP 183 1.040 35.867 4.613 24.084 -99.200 -91.000 TRP6 183 1.020 37.116 2.868 25.065 -99.200 -91.000 HIS 194 0.900 14.153 -8.478 17.713 -99.200 -91.000