============================================================================= 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 32.058 61.387 3.185 -99.200 -91.000 TRP6 14 1.020 34.026 61.136 4.461 -99.200 -91.000 PHE 26 1.000 18.131 66.301 -8.631 -99.200 -91.000 PHE 35 1.000 35.106 54.587 -14.132 -99.200 -91.000 TYR 36 0.840 30.247 51.649 -10.023 -99.200 -91.000 HIS 42 0.900 13.951 60.263 -1.973 -99.200 -91.000 TYR 45 0.840 10.966 57.212 -9.192 -99.200 -91.000 PHE 50 1.000 20.567 61.937 -12.065 -99.200 -91.000 HIS 69 0.900 33.368 63.113 -12.792 -99.200 -91.000 HIS 77 0.900 16.328 46.892 -4.192 -99.200 -91.000 PHE 80 1.000 11.631 54.476 -4.202 -99.200 -91.000 TYR 85 0.840 9.589 58.210 -0.208 -99.200 -91.000 PHE 87 1.000 13.224 46.407 -0.587 -99.200 -91.000 PHE 100 1.000 38.835 58.695 -5.371 -99.200 -91.000 TRP 114 1.040 33.696 45.216 12.032 -99.200 -91.000 TRP6 114 1.020 33.720 47.414 11.175 -99.200 -91.000 PHE 130 1.000 26.346 71.677 -1.251 -99.200 -91.000 HIS 134 0.900 16.087 78.136 9.603 -99.200 -91.000 TYR 150 0.840 23.726 54.806 14.083 -99.200 -91.000 PHE 162 1.000 3.836 58.654 6.221 -99.200 -91.000 PHE 169 1.000 20.488 54.450 9.822 -99.200 -91.000 TYR 173 0.840 20.176 65.723 18.163 -99.200 -91.000 HIS 189 0.900 24.095 57.822 9.419 -99.200 -91.000 PHE 193 1.000 35.752 50.225 14.960 -99.200 -91.000 TYR 197 0.840 34.476 60.219 9.682 -99.200 -91.000 PHE 198 1.000 34.704 51.668 8.138 -99.200 -91.000 TRP 205 1.040 11.228 57.819 4.865 -99.200 -91.000 TRP6 205 1.020 9.644 57.986 6.605 -99.200 -91.000 TYR 215 0.840 13.128 60.317 17.058 -99.200 -91.000 TYR 218 0.840 19.553 59.507 8.286 -99.200 -91.000 PHE 224 1.000 18.841 47.896 0.610 -99.200 -91.000 TRP 227 1.040 20.608 46.051 -5.184 -99.200 -91.000 TRP6 227 1.020 21.162 48.320 -5.557 -99.200 -91.000