============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 10 0.840 19.828 70.369 84.627 -99.200 -91.000 TRP 14 1.040 6.725 71.257 76.189 -99.200 -91.000 TRP6 14 1.020 6.888 69.686 74.427 -99.200 -91.000 PHE 29 1.000 16.433 81.442 74.196 -99.200 -91.000 TRP 31 1.040 24.507 80.428 74.873 -99.200 -91.000 TRP6 31 1.020 24.299 79.100 76.837 -99.200 -91.000 PHE 44 1.000 8.920 69.617 68.614 -99.200 -91.000 PHE 47 1.000 11.782 78.270 71.442 -99.200 -91.000 TYR 50 0.840 16.087 82.627 69.597 -99.200 -91.000 PHE 79 1.000 15.730 67.271 61.529 -99.200 -91.000 PHE 81 1.000 13.667 72.002 64.796 -99.200 -91.000 HIS 88 0.900 2.761 66.368 63.936 -99.200 -91.000 PHE 99 1.000 21.814 68.242 74.939 -99.200 -91.000 TYR 103 0.840 23.013 78.175 66.998 -99.200 -91.000 HIS 108 0.900 25.921 83.460 71.464 -99.200 -91.000 TRP 114 1.040 24.374 63.649 70.719 -99.200 -91.000 TRP6 114 1.020 23.971 63.325 73.010 -99.200 -91.000 TRP 123 1.040 37.435 69.684 72.267 -99.200 -91.000 TRP6 123 1.020 36.139 68.527 73.856 -99.200 -91.000 HIS 124 0.900 45.044 70.600 72.125 -99.200 -91.000 PHE 133 1.000 22.775 66.081 78.691 -99.200 -91.000 HIS 154 0.900 19.472 63.021 81.881 -99.200 -91.000 HIS 167 0.900 45.012 68.739 75.703 -99.200 -91.000 TRP 168 1.040 37.767 72.188 76.571 -99.200 -91.000 TRP6 168 1.020 36.950 72.656 78.743 -99.200 -91.000 HIS 173 0.900 37.219 55.336 86.769 -99.200 -91.000 TRP 177 1.040 26.643 57.054 73.730 -99.200 -91.000 TRP6 177 1.020 27.521 57.758 71.650 -99.200 -91.000