============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 12 1.040 27.590 69.402 31.436 -99.200 -91.000 TRP6 12 1.020 27.905 71.340 32.754 -99.200 -91.000 TYR 20 0.840 6.698 59.530 23.846 -99.200 -91.000 TRP 26 1.040 11.446 52.331 26.759 -99.200 -91.000 TRP6 26 1.020 9.951 53.177 28.385 -99.200 -91.000 HIS 28 0.900 15.556 63.610 25.159 -99.200 -91.000 TRP 39 1.040 11.606 62.250 45.452 -99.200 -91.000 TRP6 39 1.020 9.360 62.689 44.835 -99.200 -91.000 HIS 45 0.900 7.294 72.350 28.658 -99.200 -91.000 PHE 53 1.000 6.059 60.765 30.736 -99.200 -91.000 HIS 60 0.900 28.302 61.958 25.628 -99.200 -91.000 TYR 71 0.840 18.936 52.168 30.077 -99.200 -91.000 HIS 80 0.900 3.338 75.123 41.632 -99.200 -91.000 TYR 82 0.840 -1.104 78.766 42.572 -99.200 -91.000 TRP 83 1.040 1.421 72.860 33.704 -99.200 -91.000 TRP6 83 1.020 2.622 74.405 32.371 -99.200 -91.000 TYR 91 0.840 2.298 79.714 39.207 -99.200 -91.000 TYR 107 0.840 30.908 56.475 35.277 -99.200 -91.000 TYR 127 0.840 29.266 76.607 30.560 -99.200 -91.000 TRP 131 1.040 21.144 63.589 24.896 -99.200 -91.000 TRP6 131 1.020 20.850 63.436 27.243 -99.200 -91.000 TYR 148 0.840 29.202 81.932 28.907 -99.200 -91.000 TYR 154 0.840 11.212 90.817 36.196 -99.200 -91.000 TYR 160 0.840 16.659 92.084 25.774 -99.200 -91.000 TRP 161 1.040 11.444 86.417 26.207 -99.200 -91.000 TRP6 161 1.020 9.855 85.257 24.900 -99.200 -91.000 HIS 190 0.900 23.969 71.828 34.405 -99.200 -91.000 TYR 197 0.840 29.470 74.854 36.332 -99.200 -91.000 HIS 200 0.900 21.447 79.477 40.412 -99.200 -91.000 PHE 205 1.000 8.305 81.113 27.922 -99.200 -91.000 PHE 220 1.000 16.987 78.415 30.827 -99.200 -91.000 TYR 226 0.840 8.263 77.528 41.134 -99.200 -91.000 TRP 229 1.040 5.235 72.425 44.918 -99.200 -91.000 TRP6 229 1.020 6.191 71.336 43.047 -99.200 -91.000