============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 4 1.040 49.830 34.907 81.026 -99.200 -91.000 TRP6 4 1.020 47.668 35.023 82.001 -99.200 -91.000 HIS 14 0.900 43.523 37.212 94.608 -99.200 -91.000 TYR 21 0.840 38.339 21.439 96.509 -99.200 -91.000 PHE 29 1.000 42.214 8.993 85.109 -99.200 -91.000 PHE 44 1.000 47.848 31.285 85.327 -99.200 -91.000 PHE 59 1.000 56.171 36.845 85.986 -99.200 -91.000 PHE 76 1.000 66.507 23.348 84.096 -99.200 -91.000 HIS 77 0.900 61.786 17.365 82.830 -99.200 -91.000 PHE 90 1.000 67.006 1.635 81.923 -99.200 -91.000 PHE 93 1.000 75.890 3.218 87.366 -99.200 -91.000 TYR 95 0.840 66.428 0.099 90.435 -99.200 -91.000 PHE 111 1.000 61.297 5.475 87.974 -99.200 -91.000 HIS 130 0.900 84.152 26.106 85.312 -99.200 -91.000 TYR 137 0.840 83.507 12.644 88.757 -99.200 -91.000 TYR 138 0.840 80.165 3.132 90.711 -99.200 -91.000 TYR 142 0.840 83.223 12.694 82.797 -99.200 -91.000 TRP 146 1.040 72.897 16.530 82.751 -99.200 -91.000 TRP6 146 1.020 73.826 14.501 83.496 -99.200 -91.000 PHE 160 1.000 52.841 25.062 97.241 -99.200 -91.000 PHE 174 1.000 44.051 17.941 90.894 -99.200 -91.000 HIS 175 0.900 39.765 26.067 96.416 -99.200 -91.000 PHE 176 1.000 45.185 24.436 90.628 -99.200 -91.000 TYR 180 0.840 53.737 30.885 98.775 -99.200 -91.000 HIS 214 0.900 58.484 7.299 79.047 -99.200 -91.000 HIS 219 0.900 62.304 14.126 85.954 -99.200 -91.000 TYR 231 0.840 63.550 30.607 92.502 -99.200 -91.000