============================================================================= 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. HIS 23 0.900 -25.523 22.437 43.799 -99.200 -91.000 HIS 27 0.900 -17.588 27.650 51.835 -99.200 -91.000 HIS 28 0.900 -23.983 24.138 54.495 -99.200 -91.000 TRP 54 1.040 -32.644 35.437 50.256 -99.200 -91.000 TRP6 54 1.020 -30.769 36.865 50.296 -99.200 -91.000 TYR 96 0.840 -10.137 54.324 44.745 -99.200 -91.000 TYR 107 0.840 -19.837 47.372 52.258 -99.200 -91.000 PHE 108 1.000 -12.555 39.212 50.687 -99.200 -91.000 HIS 111 0.900 -11.991 41.760 38.716 -99.200 -91.000 HIS 114 0.900 -9.823 37.522 33.756 -99.200 -91.000 PHE 118 1.000 4.061 34.408 26.993 -99.200 -91.000 TYR 130 0.840 -8.248 32.134 25.307 -99.200 -91.000 HIS 131 0.900 -13.380 35.626 30.012 -99.200 -91.000 HIS 149 0.900 -16.190 38.785 59.146 -99.200 -91.000 TYR 150 0.840 -7.489 38.480 52.877 -99.200 -91.000 TRP 160 1.040 -13.753 34.098 40.515 -99.200 -91.000 TRP6 160 1.020 -13.410 36.012 41.906 -99.200 -91.000 HIS 167 0.900 -0.780 37.680 44.087 -99.200 -91.000 PHE 187 1.000 -0.128 51.289 24.389 -99.200 -91.000 HIS 192 0.900 -9.217 50.427 16.577 -99.200 -91.000 TYR 201 0.840 0.004 52.608 5.190 -99.200 -91.000 PHE 211 1.000 5.717 41.174 10.961 -99.200 -91.000 HIS 214 0.900 6.936 40.328 14.716 -99.200 -91.000 TRP 221 1.040 10.132 45.013 26.517 -99.200 -91.000 TRP6 221 1.020 11.036 44.623 24.398 -99.200 -91.000 PHE 222 1.000 5.010 41.884 30.775 -99.200 -91.000 TYR 224 0.840 6.405 34.756 30.926 -99.200 -91.000 PHE 235 1.000 11.363 57.897 14.831 -99.200 -91.000 TRP 245 1.040 3.307 55.690 30.143 -99.200 -91.000 TRP6 245 1.020 3.140 54.044 31.810 -99.200 -91.000