============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 27 1.000 -7.208 0.226 -1.093 -99.200 -91.000 PHE 29 1.000 -8.149 0.296 -7.290 -99.200 -91.000 TYR 32 0.840 -11.512 -2.814 0.258 -99.200 -91.000 TRP 36 1.040 -13.759 9.492 -9.264 -99.200 -91.000 TRP6 36 1.020 -11.805 10.772 -8.825 -99.200 -91.000 TRP 47 1.040 -21.781 8.924 -5.020 -99.200 -91.000 TRP6 47 1.020 -23.434 8.301 -6.595 -99.200 -91.000 PHE 50 1.000 -20.147 1.562 -6.031 -99.200 -91.000 TYR 56 0.840 -18.620 -8.521 -12.939 -99.200 -91.000 TYR 59 0.840 -25.075 1.795 -8.288 -99.200 -91.000 TYR 60 0.840 -21.475 7.307 -14.588 -99.200 -91.000 PHE 68 1.000 -18.332 14.622 -14.440 -99.200 -91.000 TYR 80 0.840 -7.388 5.628 -15.265 -99.200 -91.000 TYR 94 0.840 -14.766 16.964 -9.332 -99.200 -91.000 TYR 95 0.840 -12.653 15.690 -0.912 -99.200 -91.000 TRP 101 1.040 -17.562 -4.448 -1.228 -99.200 -91.000 TRP6 101 1.020 -18.623 -3.777 -3.229 -99.200 -91.000 TYR 106 0.840 -9.224 4.090 5.758 -99.200 -91.000 TRP 107 1.040 -14.147 9.867 2.250 -99.200 -91.000 TRP6 107 1.020 -15.780 11.302 1.320 -99.200 -91.000 PHE 126 1.000 -0.634 45.489 -4.030 -99.200 -91.000 TYR 149 0.840 -5.157 34.152 -5.201 -99.200 -91.000 PHE 150 1.000 -10.030 32.097 -11.840 -99.200 -91.000 TRP 158 1.040 3.778 35.507 7.504 -99.200 -91.000 TRP6 158 1.020 4.246 37.800 7.149 -99.200 -91.000 HIS 168 0.900 -4.633 34.126 13.550 -99.200 -91.000 PHE 170 1.000 -7.387 36.636 8.450 -99.200 -91.000 TYR 180 0.840 -10.578 32.616 -5.914 -99.200 -91.000 TYR 198 0.840 8.698 40.248 12.128 -99.200 -91.000 HIS 204 0.900 -1.753 31.837 -8.569 -99.200 -91.000