============================================================================= 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. TRP 35 1.040 5.190 -10.716 21.320 -99.200 -91.000 TRP6 35 1.020 4.833 -11.857 19.274 -99.200 -91.000 TYR 36 0.840 8.465 -3.163 19.579 -99.200 -91.000 TYR 49 0.840 8.646 -4.304 29.544 -99.200 -91.000 PHE 62 1.000 -3.252 -6.304 22.356 -99.200 -91.000 PHE 71 1.000 10.429 -15.901 22.990 -99.200 -91.000 PHE 83 1.000 -9.667 -7.548 13.424 -99.200 -91.000 TYR 86 0.840 -0.896 -7.212 16.546 -99.200 -91.000 TYR 87 0.840 6.251 -5.310 11.867 -99.200 -91.000 TYR 91 0.840 14.598 -6.907 24.653 -99.200 -91.000 TRP 94 1.040 26.851 -6.425 24.957 -99.200 -91.000 TRP6 94 1.020 25.520 -4.487 24.669 -99.200 -91.000 TYR 97 0.840 19.516 -5.366 20.984 -99.200 -91.000 PHE 99 1.000 12.364 -4.284 15.082 -99.200 -91.000 PHE 117 1.000 -17.018 -1.046 -12.071 -99.200 -91.000 PHE 119 1.000 -12.368 3.099 -14.946 -99.200 -91.000 PHE 140 1.000 -10.659 -7.854 -4.256 -99.200 -91.000 TYR 141 0.840 -12.344 -11.459 3.519 -99.200 -91.000 TRP 149 1.040 -3.863 -6.243 -17.455 -99.200 -91.000 TRP6 149 1.020 -5.522 -4.717 -18.169 -99.200 -91.000 TYR 174 0.840 -8.347 -7.128 2.041 -99.200 -91.000 TYR 187 0.840 -4.531 1.985 -26.460 -99.200 -91.000 HIS 190 0.900 -1.116 -4.983 -30.072 -99.200 -91.000 TYR 193 0.840 -5.268 -2.657 -25.905 -99.200 -91.000 HIS 199 0.900 -12.765 -12.969 -4.939 -99.200 -91.000 PHE 210 1.000 -10.221 -0.569 -24.069 -99.200 -91.000