============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 24 1.040 8.666 -1.926 12.720 -99.200 -91.000 TRP6 24 1.020 7.164 -0.156 13.228 -99.200 -91.000 PHE 31 1.000 6.615 -6.666 6.334 -99.200 -91.000 TYR 33 0.840 -2.483 -9.326 12.819 -99.200 -91.000 PHE 34 1.000 -0.456 -5.573 5.215 -99.200 -91.000 TRP 57 1.040 2.660 1.192 -6.107 -99.200 -91.000 TRP6 57 1.020 1.492 -0.815 -6.464 -99.200 -91.000 PHE 58 1.000 5.808 4.419 -6.685 -99.200 -91.000 HIS 87 0.900 -3.521 -4.556 -12.855 -99.200 -91.000 PHE 88 1.000 -9.503 -1.431 -10.131 -99.200 -91.000 TRP 113 1.040 -8.646 -5.749 5.097 -99.200 -91.000 TRP6 113 1.020 -8.285 -5.758 7.464 -99.200 -91.000 TYR 121 0.840 -3.012 3.996 8.366 -99.200 -91.000 HIS 127 0.900 -16.465 6.815 5.228 -99.200 -91.000 HIS 130 0.900 -19.043 -2.140 11.650 -99.200 -91.000 PHE 134 1.000 -8.854 -5.809 12.253 -99.200 -91.000 PHE 142 1.000 11.490 0.406 17.029 -99.200 -91.000 PHE 147 1.000 5.818 10.878 13.678 -99.200 -91.000 PHE 148 1.000 -3.149 4.877 13.328 -99.200 -91.000 TYR 156 0.840 -12.314 4.488 16.237 -99.200 -91.000 TYR 162 0.840 -12.125 -9.076 14.838 -99.200 -91.000 TYR 177 0.840 4.726 -8.403 17.212 -99.200 -91.000 PHE 179 1.000 -0.294 -9.467 16.052 -99.200 -91.000 TYR 182 0.840 -7.830 0.417 19.773 -99.200 -91.000