============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 8 0.840 104.777 31.212 74.334 -99.200 -91.000 PHE 10 1.000 97.958 24.786 81.268 -99.200 -91.000 TRP 11 1.040 98.406 30.793 79.524 -99.200 -91.000 TRP6 11 1.020 96.084 30.834 79.980 -99.200 -91.000 PHE 13 1.000 97.472 20.461 77.133 -99.200 -91.000 TYR 19 0.840 90.777 23.250 66.292 -99.200 -91.000 TYR 20 0.840 90.245 16.117 71.858 -99.200 -91.000 TYR 30 0.840 77.734 22.026 65.460 -99.200 -91.000 PHE 46 1.000 85.884 26.341 67.784 -99.200 -91.000 PHE 54 1.000 80.956 6.337 69.902 -99.200 -91.000 HIS 58 0.900 74.250 -7.185 73.783 -99.200 -91.000 PHE 86 1.000 60.584 37.158 65.285 -99.200 -91.000 HIS 88 0.900 60.271 27.974 63.450 -99.200 -91.000 TRP 104 1.040 57.714 11.569 68.813 -99.200 -91.000 TRP6 104 1.020 58.504 10.378 66.925 -99.200 -91.000 HIS 116 0.900 75.291 -10.862 81.846 -99.200 -91.000 HIS 118 0.900 69.599 -12.142 79.335 -99.200 -91.000 PHE 130 1.000 65.426 -6.889 89.667 -99.200 -91.000 HIS 131 0.900 62.402 -7.919 96.718 -99.200 -91.000 TRP 158 1.040 56.621 -1.873 82.721 -99.200 -91.000 TRP6 158 1.020 57.106 -2.580 80.514 -99.200 -91.000 PHE 168 1.000 59.431 4.035 81.316 -99.200 -91.000 HIS 194 0.900 48.332 15.181 91.596 -99.200 -91.000 PHE 203 1.000 46.987 9.898 83.351 -99.200 -91.000 TYR 226 0.840 50.562 12.334 75.469 -99.200 -91.000 TYR 233 0.840 52.319 22.130 73.831 -99.200 -91.000