============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 17 0.840 73.947 54.539 64.906 -99.200 -91.000 TYR 26 0.840 64.250 49.856 58.061 -99.200 -91.000 HIS 42 0.900 65.458 48.581 72.498 -99.200 -91.000 TRP 52 1.040 75.748 40.519 57.846 -99.200 -91.000 TRP6 52 1.020 78.100 40.447 58.089 -99.200 -91.000 TRP 57 1.040 82.057 40.641 66.242 -99.200 -91.000 TRP6 57 1.020 81.669 42.632 67.403 -99.200 -91.000 TRP 73 1.040 66.504 36.045 58.112 -99.200 -91.000 TRP6 73 1.020 65.070 34.202 58.100 -99.200 -91.000 TRP 82 1.040 76.380 43.924 48.013 -99.200 -91.000 TRP6 82 1.020 77.875 44.191 49.830 -99.200 -91.000 HIS 84 0.900 68.441 42.406 45.189 -99.200 -91.000 TRP 91 1.040 54.988 37.705 44.545 -99.200 -91.000 TRP6 91 1.020 52.981 38.898 44.939 -99.200 -91.000 TYR 94 0.840 60.292 40.697 47.637 -99.200 -91.000 TYR 97 0.840 64.821 44.826 54.719 -99.200 -91.000 TRP 102 1.040 58.651 51.328 61.259 -99.200 -91.000 TRP6 102 1.020 59.214 53.239 62.515 -99.200 -91.000 PHE 107 1.000 57.707 51.313 67.672 -99.200 -91.000 HIS 109 0.900 59.029 57.412 67.431 -99.200 -91.000 PHE 119 1.000 62.443 45.016 50.019 -99.200 -91.000 PHE 129 1.000 54.157 57.805 53.926 -99.200 -91.000 PHE 139 1.000 68.085 56.390 51.163 -99.200 -91.000 TYR 142 0.840 69.116 60.865 48.975 -99.200 -91.000 TRP 147 1.040 64.031 53.640 43.480 -99.200 -91.000 TRP6 147 1.020 61.736 53.035 43.269 -99.200 -91.000 HIS 149 0.900 68.319 61.906 44.571 -99.200 -91.000 PHE 154 1.000 55.269 61.383 50.685 -99.200 -91.000 PHE 166 1.000 66.628 62.473 53.598 -99.200 -91.000