============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 27 1.000 10.603 2.731 -0.709 -99.200 -91.000 PHE 29 1.000 12.667 0.016 5.122 -99.200 -91.000 TRP 33 1.040 22.817 1.190 0.367 -99.200 -91.000 TRP6 33 1.020 25.020 2.050 0.385 -99.200 -91.000 TRP 36 1.040 17.279 8.825 10.028 -99.200 -91.000 TRP6 36 1.020 15.109 9.713 10.314 -99.200 -91.000 TRP 47 1.040 24.295 11.657 4.888 -99.200 -91.000 TRP6 47 1.020 26.187 10.687 5.955 -99.200 -91.000 TYR 62 0.840 25.821 6.674 13.064 -99.200 -91.000 PHE 70 1.000 21.659 13.038 16.523 -99.200 -91.000 TYR 82 0.840 12.610 2.024 14.449 -99.200 -91.000 TYR 96 0.840 17.158 16.040 13.130 -99.200 -91.000 PHE 103 1.000 19.231 1.746 -9.528 -99.200 -91.000 TYR 113 0.840 30.185 2.653 -16.813 -99.200 -91.000 TRP 117 1.040 14.529 14.048 -1.487 -99.200 -91.000 TRP6 117 1.020 16.190 15.276 -0.341 -99.200 -91.000 PHE 136 1.000 7.712 45.959 26.605 -99.200 -91.000 TYR 159 0.840 5.227 34.928 20.164 -99.200 -91.000 PHE 160 1.000 8.456 27.121 22.653 -99.200 -91.000 TRP 168 1.040 -3.299 46.824 14.984 -99.200 -91.000 TRP6 168 1.020 -2.219 48.291 16.514 -99.200 -91.000 HIS 178 0.900 3.321 44.161 6.507 -99.200 -91.000 PHE 180 1.000 6.401 44.068 9.018 -99.200 -91.000 TYR 190 0.840 8.910 30.988 17.689 -99.200 -91.000 TYR 208 0.840 -5.262 54.769 15.247 -99.200 -91.000 HIS 214 0.900 1.449 32.349 23.221 -99.200 -91.000