============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 32 0.840 52.833 4.903 83.737 -99.200 -91.000 TRP 33 1.040 58.174 7.196 78.833 -99.200 -91.000 TRP6 33 1.020 57.850 9.321 77.856 -99.200 -91.000 TRP 35 1.040 60.386 0.817 72.199 -99.200 -91.000 TRP6 35 1.020 61.659 2.145 70.709 -99.200 -91.000 PHE 39 1.000 54.595 -5.626 61.275 -99.200 -91.000 TYR 46 0.840 50.766 0.134 72.497 -99.200 -91.000 TYR 49 0.840 52.124 -0.758 78.856 -99.200 -91.000 TYR 52 0.840 56.777 5.796 88.785 -99.200 -91.000 TYR 57 0.840 52.061 -4.841 82.322 -99.200 -91.000 TYR 58 0.840 58.332 -7.051 77.218 -99.200 -91.000 HIS 59 0.900 50.997 -8.012 69.875 -99.200 -91.000 TYR 77 0.840 60.879 4.719 75.437 -99.200 -91.000 TYR 78 0.840 68.468 2.320 76.106 -99.200 -91.000 TYR 92 0.840 60.696 -1.772 64.224 -99.200 -91.000 TYR 93 0.840 56.077 5.350 63.440 -99.200 -91.000 TRP 97 1.040 50.248 3.025 78.020 -99.200 -91.000 TRP6 97 1.020 48.283 3.691 79.151 -99.200 -91.000 TRP 102 1.040 52.598 9.187 68.350 -99.200 -91.000 TRP6 102 1.020 52.611 6.993 67.494 -99.200 -91.000 TYR 121 0.840 67.981 -4.378 32.315 -99.200 -91.000 TYR 144 0.840 66.871 -0.427 43.699 -99.200 -91.000 PHE 145 1.000 69.492 -4.761 50.612 -99.200 -91.000 TRP 153 1.040 62.348 10.181 33.344 -99.200 -91.000 TRP6 153 1.020 62.748 8.465 31.766 -99.200 -91.000 HIS 163 0.900 52.507 9.645 36.208 -99.200 -91.000 PHE 165 1.000 54.475 4.033 38.071 -99.200 -91.000 TYR 174 0.840 64.390 -3.054 48.316 -99.200 -91.000 TRP 187 1.040 62.652 9.663 22.230 -99.200 -91.000 TRP6 187 1.020 62.037 7.523 21.426 -99.200 -91.000 HIS 198 0.900 72.326 1.217 45.004 -99.200 -91.000