============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TRP 10 1.040 40.159 65.991 34.600 -99.200 -91.000 TRP6 10 1.020 39.595 66.638 32.383 -99.200 -91.000 PHE 18 1.000 37.919 71.941 29.475 -99.200 -91.000 HIS 27 0.900 40.380 58.513 32.317 -99.200 -91.000 PHE 34 1.000 35.053 65.789 30.198 -99.200 -91.000 TYR 44 0.840 31.309 68.394 6.898 -99.200 -91.000 HIS 45 0.900 37.248 62.219 12.840 -99.200 -91.000 PHE 53 1.000 29.885 64.192 18.952 -99.200 -91.000 TYR 54 0.840 25.948 65.187 29.274 -99.200 -91.000 HIS 69 0.900 26.777 69.935 3.419 -99.200 -91.000 PHE 80 1.000 24.194 62.713 17.483 -99.200 -91.000 HIS 88 0.900 32.469 62.995 12.858 -99.200 -91.000 PHE 93 1.000 27.973 77.666 18.666 -99.200 -91.000 TYR 115 0.840 39.193 71.364 5.204 -99.200 -91.000 TYR 116 0.840 32.180 66.856 1.628 -99.200 -91.000 PHE 124 1.000 43.518 68.643 1.396 -99.200 -91.000 TRP 127 1.040 40.531 59.492 2.906 -99.200 -91.000 TRP6 127 1.020 38.631 58.659 4.052 -99.200 -91.000 PHE 128 1.000 43.901 61.037 10.036 -99.200 -91.000 TYR 129 0.840 46.682 52.956 8.197 -99.200 -91.000 PHE 144 1.000 41.085 73.262 2.717 -99.200 -91.000 PHE 145 1.000 42.351 76.368 6.662 -99.200 -91.000 TYR 150 0.840 41.773 78.551 2.259 -99.200 -91.000 PHE 166 1.000 35.814 54.364 6.052 -99.200 -91.000 TRP 180 1.040 16.534 57.193 27.756 -99.200 -91.000 TRP6 180 1.020 17.610 55.611 29.164 -99.200 -91.000 HIS 184 0.900 13.663 54.691 29.703 -99.200 -91.000 HIS 185 0.900 11.350 57.370 38.325 -99.200 -91.000 PHE 197 1.000 22.648 56.823 22.940 -99.200 -91.000 TYR 201 0.840 23.208 53.678 17.157 -99.200 -91.000 TYR 208 0.840 25.263 49.747 34.689 -99.200 -91.000 TRP 223 1.040 34.936 57.560 32.084 -99.200 -91.000 TRP6 223 1.020 33.289 59.232 31.676 -99.200 -91.000 TRP 225 1.040 29.801 61.179 35.286 -99.200 -91.000 TRP6 225 1.020 29.196 62.615 33.493 -99.200 -91.000 TYR 255 0.840 34.127 46.427 36.464 -99.200 -91.000 TRP 257 1.040 29.565 50.121 40.095 -99.200 -91.000 TRP6 257 1.020 28.627 50.767 38.014 -99.200 -91.000