============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 1 0.840 26.001 60.051 103.715 -99.200 -91.000 TRP 7 1.040 20.283 66.410 113.219 -99.200 -91.000 TRP6 7 1.020 18.450 66.462 111.743 -99.200 -91.000 PHE 13 1.000 14.277 70.605 113.481 -99.200 -91.000 TRP 27 1.040 19.950 53.635 129.976 -99.200 -91.000 TRP6 27 1.020 20.504 53.316 132.198 -99.200 -91.000 PHE 29 1.000 20.113 62.466 131.984 -99.200 -91.000 PHE 61 1.000 12.259 45.894 126.043 -99.200 -91.000 HIS 64 0.900 21.344 45.922 134.664 -99.200 -91.000 PHE 75 1.000 16.511 55.305 121.413 -99.200 -91.000 TYR 77 0.840 10.680 51.109 129.207 -99.200 -91.000 TYR 80 0.840 8.930 45.396 121.551 -99.200 -91.000 TYR 90 0.840 8.709 58.188 136.537 -99.200 -91.000 TYR 92 0.840 17.911 62.127 136.558 -99.200 -91.000 HIS 98 0.900 10.189 48.662 142.625 -99.200 -91.000 PHE 101 1.000 4.060 54.179 130.758 -99.200 -91.000 PHE 109 1.000 3.098 58.080 122.553 -99.200 -91.000 TYR 131 0.840 16.887 58.845 106.995 -99.200 -91.000 PHE 136 1.000 28.700 59.084 120.276 -99.200 -91.000 PHE 138 1.000 32.984 59.098 124.774 -99.200 -91.000 PHE 144 1.000 35.020 63.320 127.262 -99.200 -91.000 TYR 147 0.840 36.000 68.981 125.110 -99.200 -91.000 TYR 152 0.840 39.171 63.248 124.594 -99.200 -91.000 HIS 158 0.900 41.642 49.620 124.996 -99.200 -91.000 HIS 166 0.900 29.343 59.835 129.014 -99.200 -91.000 TYR 173 0.840 28.424 65.230 109.303 -99.200 -91.000 TYR 180 0.840 34.072 69.317 114.371 -99.200 -91.000 TRP 181 1.040 31.736 61.390 115.082 -99.200 -91.000 TRP6 181 1.020 29.879 60.847 113.774 -99.200 -91.000 TRP 187 1.040 28.634 64.203 132.414 -99.200 -91.000 TRP6 187 1.020 30.919 63.828 131.946 -99.200 -91.000 TRP 191 1.040 32.499 68.473 131.010 -99.200 -91.000 TRP6 191 1.020 32.195 67.528 128.894 -99.200 -91.000 TYR 196 0.840 25.691 70.340 122.461 -99.200 -91.000 PHE 197 1.000 32.110 64.651 123.890 -99.200 -91.000 TYR 214 0.840 18.369 56.746 113.074 -99.200 -91.000