============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 27 0.840 60.834 38.218 113.689 -99.200 -91.000 PHE 29 1.000 66.428 38.462 110.949 -99.200 -91.000 TYR 32 0.840 59.687 33.668 117.135 -99.200 -91.000 TRP 36 1.040 63.523 33.053 102.154 -99.200 -91.000 TRP6 36 1.020 62.945 35.124 101.185 -99.200 -91.000 TRP 47 1.040 59.419 25.211 103.856 -99.200 -91.000 TRP6 47 1.020 60.843 23.397 104.258 -99.200 -91.000 TRP 50 1.040 63.236 27.759 109.398 -99.200 -91.000 TRP6 50 1.020 64.900 26.717 110.648 -99.200 -91.000 TYR 60 0.840 69.125 26.221 100.363 -99.200 -91.000 PHE 64 1.000 62.016 25.709 95.354 -99.200 -91.000 PHE 68 1.000 65.512 28.942 93.830 -99.200 -91.000 PHE 70 1.000 66.518 29.401 101.735 -99.200 -91.000 PHE 93 1.000 60.440 33.260 93.924 -99.200 -91.000 PHE 94 1.000 53.418 35.738 98.940 -99.200 -91.000 PHE 102 1.000 63.954 21.132 110.708 -99.200 -91.000 TYR 108 0.840 52.599 37.338 113.403 -99.200 -91.000 TRP 109 1.040 52.357 33.721 105.685 -99.200 -91.000 TRP6 109 1.020 52.821 32.488 103.751 -99.200 -91.000 TYR 128 0.840 46.039 56.123 73.842 -99.200 -91.000 TYR 151 0.840 51.365 48.417 81.418 -99.200 -91.000 PHE 152 1.000 57.552 42.975 79.799 -99.200 -91.000 TRP 160 1.040 39.486 56.252 87.534 -99.200 -91.000 TRP6 160 1.020 39.102 57.165 85.423 -99.200 -91.000 HIS 170 0.900 33.980 47.689 88.742 -99.200 -91.000 PHE 172 1.000 37.504 46.218 84.161 -99.200 -91.000 TYR 181 0.840 51.864 42.794 81.408 -99.200 -91.000 TRP 194 1.040 33.374 64.330 83.303 -99.200 -91.000 TRP6 194 1.020 32.462 63.822 81.236 -99.200 -91.000 HIS 205 0.900 55.781 51.018 83.412 -99.200 -91.000