============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 21 1.000 11.911 19.299 55.392 -99.200 -91.000 TYR 22 0.840 10.858 16.168 51.956 -99.200 -91.000 PHE 36 1.000 11.868 3.049 45.354 -99.200 -91.000 HIS 90 0.900 19.249 28.545 56.090 -99.200 -91.000 TYR 93 0.840 14.465 34.130 50.324 -99.200 -91.000 TYR 99 0.840 5.385 37.483 54.300 -99.200 -91.000 PHE 101 1.000 8.814 27.896 54.464 -99.200 -91.000 PHE 104 1.000 19.995 23.902 54.396 -99.200 -91.000 HIS 114 0.900 8.251 29.653 44.119 -99.200 -91.000 PHE 131 1.000 4.642 34.724 58.498 -99.200 -91.000 PHE 143 1.000 3.461 19.489 46.461 -99.200 -91.000 HIS 149 0.900 24.805 22.570 43.471 -99.200 -91.000 PHE 157 1.000 23.375 10.832 27.571 -99.200 -91.000 PHE 169 1.000 21.133 20.011 34.169 -99.200 -91.000 TRP 185 1.040 21.136 8.484 53.003 -99.200 -91.000 TRP6 185 1.020 22.816 8.284 54.675 -99.200 -91.000 PHE 191 1.000 13.288 12.840 32.731 -99.200 -91.000 PHE 205 1.000 19.481 8.179 28.009 -99.200 -91.000 TYR 210 0.840 20.120 1.283 25.964 -99.200 -91.000 PHE 211 1.000 16.205 -3.707 32.627 -99.200 -91.000 PHE 218 1.000 11.166 -0.218 33.779 -99.200 -91.000 PHE 219 1.000 15.642 3.685 27.322 -99.200 -91.000 TRP 230 1.040 11.004 4.517 35.476 -99.200 -91.000 TRP6 230 1.020 11.501 2.523 36.654 -99.200 -91.000 PHE 231 1.000 13.565 9.141 29.762 -99.200 -91.000