============================================================================= 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. PHE 25 1.000 10.735 -8.690 42.578 -99.200 -91.000 TYR 30 0.840 10.119 -5.183 38.837 -99.200 -91.000 TYR 31 0.840 17.134 -0.380 34.694 -99.200 -91.000 TRP 34 1.040 23.217 -4.480 44.838 -99.200 -91.000 TRP6 34 1.020 23.172 -6.159 46.515 -99.200 -91.000 TRP 45 1.040 22.291 4.587 42.712 -99.200 -91.000 TRP6 45 1.020 23.642 4.838 40.795 -99.200 -91.000 TRP 48 1.040 21.313 1.733 37.310 -99.200 -91.000 TRP6 48 1.020 19.281 2.925 37.129 -99.200 -91.000 TYR 58 0.840 29.518 -1.591 38.294 -99.200 -91.000 PHE 62 1.000 30.396 2.737 46.160 -99.200 -91.000 TYR 78 0.840 24.981 -13.838 43.492 -99.200 -91.000 TYR 91 0.840 27.815 -2.238 51.714 -99.200 -91.000 TYR 92 0.840 19.064 -1.029 53.962 -99.200 -91.000 HIS 98 0.900 5.811 -2.255 39.841 -99.200 -91.000 TYR 100 0.840 8.335 -5.147 44.539 -99.200 -91.000 TRP 101 1.040 13.038 0.023 49.701 -99.200 -91.000 TRP6 101 1.020 15.129 1.113 49.583 -99.200 -91.000 TYR 120 0.840 24.684 -13.496 81.442 -99.200 -91.000 TYR 143 0.840 26.000 -7.875 70.388 -99.200 -91.000 PHE 144 1.000 33.632 -6.737 66.139 -99.200 -91.000 TRP 152 1.040 10.852 -9.678 74.307 -99.200 -91.000 TRP6 152 1.020 11.786 -10.376 76.369 -99.200 -91.000 HIS 162 0.900 9.458 0.320 75.763 -99.200 -91.000 PHE 164 1.000 15.700 0.012 76.520 -99.200 -91.000 TYR 173 0.840 29.042 -3.321 68.552 -99.200 -91.000 TRP 186 1.040 7.191 -14.713 83.563 -99.200 -91.000 TRP6 186 1.020 8.015 -13.942 85.640 -99.200 -91.000 HIS 197 0.900 26.819 -12.258 66.788 -99.200 -91.000