============================================================================= 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. HIS 7 0.900 38.079 33.139 13.258 -99.200 -91.000 PHE 21 1.000 40.731 18.539 26.151 -99.200 -91.000 TYR 22 0.840 40.623 22.578 22.920 -99.200 -91.000 PHE 28 1.000 44.492 22.811 18.992 -99.200 -91.000 TRP 34 1.040 41.405 38.283 25.462 -99.200 -91.000 TRP6 34 1.020 41.614 36.803 23.640 -99.200 -91.000 TYR 39 0.840 43.060 35.501 19.328 -99.200 -91.000 TRP 46 1.040 42.881 32.193 15.244 -99.200 -91.000 TRP6 46 1.020 42.249 34.077 13.984 -99.200 -91.000 TYR 55 0.840 29.181 26.666 26.320 -99.200 -91.000 TYR 62 0.840 27.815 12.254 14.384 -99.200 -91.000 HIS 64 0.900 31.743 14.915 14.606 -99.200 -91.000 TYR 65 0.840 33.352 21.816 16.935 -99.200 -91.000 PHE 67 1.000 40.776 19.223 16.889 -99.200 -91.000 PHE 74 1.000 43.036 6.144 16.296 -99.200 -91.000 PHE 77 1.000 45.023 12.274 20.398 -99.200 -91.000 HIS 84 0.900 44.761 14.297 31.095 -99.200 -91.000 TRP 89 1.040 32.156 12.636 20.965 -99.200 -91.000 TRP6 89 1.020 30.763 12.628 19.064 -99.200 -91.000 PHE 99 1.000 40.216 8.791 22.083 -99.200 -91.000 TYR 100 0.840 34.118 9.538 16.378 -99.200 -91.000 PHE 101 1.000 39.590 14.166 21.743 -99.200 -91.000 HIS 107 0.900 32.472 23.494 22.769 -99.200 -91.000 HIS 112 0.900 38.919 10.170 10.025 -99.200 -91.000 TYR 128 0.840 28.196 6.683 4.581 -99.200 -91.000 PHE 133 1.000 29.665 8.091 -3.784 -99.200 -91.000