============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 14 1.040 14.878 3.220 32.108 -99.200 -91.000 TRP6 14 1.020 16.086 1.975 33.735 -99.200 -91.000 PHE 26 1.000 8.775 16.093 19.569 -99.200 -91.000 PHE 35 1.000 26.856 4.826 17.643 -99.200 -91.000 TYR 36 0.840 20.846 1.504 16.641 -99.200 -91.000 HIS 42 0.900 2.334 8.808 19.145 -99.200 -91.000 TYR 45 0.840 4.288 10.553 10.601 -99.200 -91.000 PHE 50 1.000 12.774 13.507 16.075 -99.200 -91.000 HIS 69 0.900 24.175 11.925 22.301 -99.200 -91.000 HIS 77 0.900 6.347 -2.354 11.923 -99.200 -91.000 PHE 80 1.000 2.198 5.549 13.103 -99.200 -91.000 TYR 85 0.840 -1.360 7.607 17.381 -99.200 -91.000 PHE 87 1.000 1.817 -3.595 12.631 -99.200 -91.000 PHE 100 1.000 25.218 3.399 27.707 -99.200 -91.000 TRP 114 1.040 12.213 -14.722 31.714 -99.200 -91.000 TRP6 114 1.020 12.704 -12.480 32.176 -99.200 -91.000 PHE 130 1.000 11.786 15.117 31.478 -99.200 -91.000 HIS 134 0.900 -4.025 19.757 35.249 -99.200 -91.000 TYR 150 0.840 2.194 -5.490 32.573 -99.200 -91.000 PHE 162 1.000 -10.568 6.506 19.114 -99.200 -91.000 PHE 169 1.000 1.569 -3.084 27.533 -99.200 -91.000 TYR 173 0.840 -3.753 2.658 39.246 -99.200 -91.000 HIS 189 0.900 4.756 -0.837 30.727 -99.200 -91.000 PHE 193 1.000 12.554 -11.929 37.455 -99.200 -91.000 TYR 197 0.840 13.796 -0.987 37.423 -99.200 -91.000 PHE 198 1.000 14.908 -7.750 32.059 -99.200 -91.000 TRP 205 1.040 -3.657 4.555 21.303 -99.200 -91.000 TRP6 205 1.020 -5.935 4.209 21.858 -99.200 -91.000 TYR 215 0.840 -8.513 0.256 32.125 -99.200 -91.000 TYR 218 0.840 1.420 2.242 28.658 -99.200 -91.000 PHE 224 1.000 5.593 -4.165 17.025 -99.200 -91.000 TRP 227 1.040 10.437 -3.493 13.019 -99.200 -91.000 TRP6 227 1.020 10.964 -1.495 14.160 -99.200 -91.000