============================================================================= 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. TRP 11 1.040 18.252 19.237 62.919 -99.200 -91.000 TRP6 11 1.020 18.759 16.942 62.743 -99.200 -91.000 PHE 26 1.000 10.503 11.693 58.105 -99.200 -91.000 HIS 33 0.900 -3.715 11.182 55.688 -99.200 -91.000 PHE 43 1.000 19.521 30.030 58.163 -99.200 -91.000 HIS 45 0.900 21.824 19.455 59.874 -99.200 -91.000 HIS 55 0.900 5.895 11.042 50.622 -99.200 -91.000 PHE 58 1.000 7.347 13.928 54.444 -99.200 -91.000 PHE 77 1.000 19.226 25.074 48.828 -99.200 -91.000 TRP 81 1.040 5.383 25.159 52.839 -99.200 -91.000 TRP6 81 1.020 3.482 24.865 54.231 -99.200 -91.000 HIS 86 0.900 11.022 28.985 65.898 -99.200 -91.000 TRP 91 1.040 7.941 32.462 74.689 -99.200 -91.000 TRP6 91 1.020 6.775 34.144 75.872 -99.200 -91.000 TYR 92 0.840 18.536 32.433 73.778 -99.200 -91.000 TYR 93 0.840 17.753 33.690 69.319 -99.200 -91.000 PHE 112 1.000 9.934 32.180 52.144 -99.200 -91.000 TRP 150 1.040 -5.574 36.266 57.256 -99.200 -91.000 TRP6 150 1.020 -5.136 35.418 59.425 -99.200 -91.000 TYR 157 0.840 -2.262 27.135 72.407 -99.200 -91.000 TRP 161 1.040 -0.530 26.617 78.449 -99.200 -91.000 TRP6 161 1.020 -1.322 24.636 79.495 -99.200 -91.000 HIS 178 0.900 -5.454 24.000 68.017 -99.200 -91.000 TRP 184 1.040 -8.891 37.812 67.406 -99.200 -91.000 TRP6 184 1.020 -7.800 38.247 65.352 -99.200 -91.000 TYR 201 0.840 -1.250 20.478 71.212 -99.200 -91.000 TYR 214 0.840 -6.616 15.667 62.007 -99.200 -91.000 PHE 222 1.000 -1.188 16.268 65.663 -99.200 -91.000 PHE 230 1.000 6.363 14.582 60.722 -99.200 -91.000