============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 14 1.040 14.934 18.236 14.225 -99.200 -91.000 TRP6 14 1.020 13.475 19.458 15.624 -99.200 -91.000 TRP 35 1.040 19.903 27.892 2.674 -99.200 -91.000 TRP6 35 1.020 21.717 27.666 1.180 -99.200 -91.000 HIS 41 0.900 31.411 11.138 6.504 -99.200 -91.000 PHE 43 1.000 27.307 15.589 0.207 -99.200 -91.000 TRP 49 1.040 29.444 15.935 -8.094 -99.200 -91.000 TRP6 49 1.020 29.674 16.289 -5.773 -99.200 -91.000 HIS 59 0.900 8.475 6.703 11.446 -99.200 -91.000 HIS 64 0.900 7.201 5.786 -1.140 -99.200 -91.000 TYR 82 0.840 35.867 16.544 3.866 -99.200 -91.000 HIS 89 0.900 38.096 22.506 9.063 -99.200 -91.000 HIS 97 0.900 14.774 23.127 -8.786 -99.200 -91.000 HIS 105 0.900 3.402 14.358 10.293 -99.200 -91.000 PHE 116 1.000 21.271 29.322 23.192 -99.200 -91.000 PHE 123 1.000 30.005 24.291 29.226 -99.200 -91.000 PHE 126 1.000 22.122 12.130 29.176 -99.200 -91.000 TRP 132 1.040 15.395 6.291 8.182 -99.200 -91.000 TRP6 132 1.020 15.353 8.609 7.758 -99.200 -91.000 TYR 173 0.840 37.983 24.120 13.365 -99.200 -91.000 PHE 175 1.000 29.591 17.746 19.915 -99.200 -91.000 TYR 179 0.840 25.644 6.378 27.013 -99.200 -91.000 HIS 195 0.900 25.003 16.376 19.796 -99.200 -91.000 HIS 198 0.900 13.685 20.347 24.626 -99.200 -91.000 TYR 199 0.840 18.954 26.636 27.690 -99.200 -91.000 TRP 203 1.040 13.845 19.615 20.815 -99.200 -91.000 TRP6 203 1.020 15.154 17.864 21.712 -99.200 -91.000 TYR 204 0.840 18.085 26.622 20.477 -99.200 -91.000 TRP 211 1.040 35.779 11.824 13.483 -99.200 -91.000 TRP6 211 1.020 37.432 10.752 14.792 -99.200 -91.000 HIS 220 0.900 38.174 3.563 20.618 -99.200 -91.000 PHE 221 1.000 33.457 8.442 25.515 -99.200 -91.000 TYR 224 0.840 27.931 12.721 17.527 -99.200 -91.000 TYR 230 0.840 32.705 24.068 10.877 -99.200 -91.000 TRP 233 1.040 32.104 28.122 5.818 -99.200 -91.000 TRP6 233 1.020 30.943 26.147 5.246 -99.200 -91.000 PHE 252 1.000 36.067 27.229 9.296 -99.200 -91.000