============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TRP 14 1.040 -0.547 -20.277 -13.399 -99.200 -91.000 TRP6 14 1.020 0.300 -22.423 -12.834 -99.200 -91.000 PHE 19 1.000 -15.043 -10.487 -16.247 -99.200 -91.000 TRP 37 1.040 -1.289 -10.697 -1.069 -99.200 -91.000 TRP6 37 1.020 -1.323 -8.341 -1.281 -99.200 -91.000 HIS 43 0.900 -1.176 -2.263 -20.016 -99.200 -91.000 TYR 47 0.840 -2.123 4.174 -21.306 -99.200 -91.000 TRP 49 1.040 -5.632 3.560 -24.231 -99.200 -91.000 TRP6 49 1.020 -4.829 1.334 -24.498 -99.200 -91.000 PHE 53 1.000 -10.854 0.564 -14.391 -99.200 -91.000 HIS 65 0.900 -11.308 -24.375 -21.177 -99.200 -91.000 TYR 70 0.840 -21.739 -19.285 -13.119 -99.200 -91.000 TYR 84 0.840 -1.460 -2.589 -1.649 -99.200 -91.000 HIS 86 0.900 7.486 0.090 -8.797 -99.200 -91.000 TYR 89 0.840 1.976 2.303 -14.986 -99.200 -91.000 TRP 91 1.040 0.599 7.371 -16.329 -99.200 -91.000 TRP6 91 1.020 -0.321 9.030 -17.750 -99.200 -91.000 PHE 110 1.000 -4.733 -21.874 -3.112 -99.200 -91.000 TYR 113 0.840 -11.709 -27.691 -12.339 -99.200 -91.000 HIS 115 0.900 -1.747 -25.235 -6.725 -99.200 -91.000 TYR 132 0.840 17.440 -21.900 -21.261 -99.200 -91.000 TRP 139 1.040 -10.253 -16.583 -21.454 -99.200 -91.000 TRP6 139 1.020 -9.450 -16.684 -19.227 -99.200 -91.000 PHE 177 1.000 10.552 -11.581 -19.862 -99.200 -91.000 PHE 181 1.000 8.540 -19.608 -31.807 -99.200 -91.000 PHE 200 1.000 7.791 -15.644 -21.068 -99.200 -91.000 PHE 206 1.000 17.551 -26.731 -13.067 -99.200 -91.000 TRP 210 1.040 3.992 -25.349 -14.666 -99.200 -91.000 TRP6 210 1.020 4.441 -24.831 -16.936 -99.200 -91.000 TYR 211 0.840 9.879 -21.395 -9.815 -99.200 -91.000 TRP 218 1.040 6.201 -2.515 -23.721 -99.200 -91.000 TRP6 218 1.020 7.514 -2.016 -25.635 -99.200 -91.000 TYR 228 0.840 11.840 -10.127 -31.639 -99.200 -91.000 PHE 230 1.000 9.874 -5.143 -26.090 -99.200 -91.000 TYR 231 0.840 5.868 -11.263 -22.737 -99.200 -91.000 HIS 233 0.900 13.673 -9.494 -15.356 -99.200 -91.000 PHE 235 1.000 15.342 -12.218 -9.023 -99.200 -91.000 TRP 240 1.040 6.185 -2.251 -5.279 -99.200 -91.000 TRP6 240 1.020 4.410 -3.326 -6.426 -99.200 -91.000