============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TRP 6 1.040 33.601 67.470 3.311 -99.200 -91.000 TRP6 6 1.020 33.852 65.694 1.775 -99.200 -91.000 TYR 11 0.840 35.883 76.159 -6.466 -99.200 -91.000 TYR 21 0.840 19.334 74.495 -7.428 -99.200 -91.000 TYR 32 0.840 21.702 57.302 -11.857 -99.200 -91.000 PHE 44 1.000 22.282 71.189 -3.383 -99.200 -91.000 HIS 45 0.900 21.647 74.417 3.229 -99.200 -91.000 TRP 48 1.040 27.917 61.125 3.653 -99.200 -91.000 TRP6 48 1.020 29.819 62.473 4.042 -99.200 -91.000 HIS 49 0.900 24.984 57.289 3.195 -99.200 -91.000 TYR 66 0.840 32.062 75.331 5.416 -99.200 -91.000 TRP 67 1.040 29.640 69.936 9.195 -99.200 -91.000 TRP6 67 1.020 27.428 69.096 9.084 -99.200 -91.000 TYR 77 0.840 28.087 69.600 -2.051 -99.200 -91.000 TRP 81 1.040 22.207 72.714 8.327 -99.200 -91.000 TRP6 81 1.020 22.129 71.042 6.658 -99.200 -91.000 HIS 85 0.900 13.417 79.286 10.274 -99.200 -91.000 TRP 87 1.040 6.480 69.556 13.491 -99.200 -91.000 TRP6 87 1.020 6.223 67.643 14.838 -99.200 -91.000 PHE 114 1.000 11.801 57.809 12.856 -99.200 -91.000 PHE 128 1.000 6.310 61.057 -1.924 -99.200 -91.000 TYR 148 0.840 11.219 61.311 2.014 -99.200 -91.000 TYR 159 0.840 11.567 55.797 4.188 -99.200 -91.000