============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 7 0.840 10.596 64.827 -2.443 -99.200 -91.000 PHE 9 1.000 14.942 67.418 6.571 -99.200 -91.000 TYR 21 0.840 19.352 73.211 22.250 -99.200 -91.000 HIS 31 0.900 18.116 57.065 -9.401 -99.200 -91.000 TYR 45 0.840 21.152 67.335 7.305 -99.200 -91.000 PHE 47 1.000 20.842 59.001 16.110 -99.200 -91.000 TRP 48 1.040 25.248 59.789 13.511 -99.200 -91.000 TRP6 48 1.020 23.979 58.051 12.515 -99.200 -91.000 TYR 49 0.840 23.158 70.256 11.586 -99.200 -91.000 PHE 55 1.000 20.464 64.892 2.986 -99.200 -91.000 TRP 68 1.040 29.800 62.634 1.169 -99.200 -91.000 TRP6 68 1.020 31.332 61.637 -0.342 -99.200 -91.000 HIS 78 0.900 29.057 59.596 10.733 -99.200 -91.000 TRP 79 1.040 30.625 55.583 3.335 -99.200 -91.000 TRP6 79 1.020 31.865 56.357 1.466 -99.200 -91.000 TRP 92 1.040 36.923 46.476 -0.222 -99.200 -91.000 TRP6 92 1.020 35.779 45.058 -1.719 -99.200 -91.000 TYR 105 0.840 14.998 51.326 4.136 -99.200 -91.000 TRP 111 1.040 21.856 43.549 5.564 -99.200 -91.000 TRP6 111 1.020 22.351 44.567 7.639 -99.200 -91.000 TRP 147 1.040 10.144 65.322 9.103 -99.200 -91.000 TRP6 147 1.020 11.795 63.627 9.021 -99.200 -91.000 PHE 156 1.000 10.586 61.370 21.852 -99.200 -91.000 HIS 164 0.900 4.316 60.748 13.217 -99.200 -91.000 TRP 170 1.040 21.762 52.377 18.721 -99.200 -91.000 TRP6 170 1.020 23.252 53.321 17.144 -99.200 -91.000