============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 1 0.840 31.625 71.206 -6.506 -99.200 -91.000 TYR 43 0.840 7.214 74.219 -22.237 -99.200 -91.000 TYR 44 0.840 1.319 77.309 -16.378 -99.200 -91.000 TRP 45 1.040 6.365 80.087 -24.956 -99.200 -91.000 TRP6 45 1.020 8.511 80.712 -24.161 -99.200 -91.000 TYR 53 0.840 5.456 63.130 -27.193 -99.200 -91.000 PHE 59 1.000 25.300 69.981 -25.863 -99.200 -91.000 HIS 65 0.900 37.659 73.845 -24.071 -99.200 -91.000 TYR 72 0.840 28.584 76.194 -32.373 -99.200 -91.000 HIS 76 0.900 26.024 77.945 -34.187 -99.200 -91.000 HIS 77 0.900 18.057 74.764 -28.903 -99.200 -91.000 TYR 79 0.840 13.151 74.498 -28.236 -99.200 -91.000 TYR 96 0.840 34.512 60.451 -19.282 -99.200 -91.000 TRP 99 1.040 38.349 60.473 -24.752 -99.200 -91.000 TRP6 99 1.020 36.054 61.052 -24.539 -99.200 -91.000