============================================================================= 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. TYR 3 0.840 -37.525 31.678 3.669 -99.200 -91.000 HIS 7 0.900 -46.045 28.790 8.724 -99.200 -91.000 TYR 10 0.840 -59.102 27.565 10.409 -99.200 -91.000 TYR 13 0.840 -65.242 27.837 -0.255 -99.200 -91.000 TYR 18 0.840 -59.504 37.193 -6.996 -99.200 -91.000 PHE 23 1.000 -51.654 41.991 3.455 -99.200 -91.000 TYR 44 0.840 -40.288 34.817 9.664 -99.200 -91.000 TYR 55 0.840 -46.523 35.087 -5.723 -99.200 -91.000 TYR 68 0.840 -49.620 38.811 -5.208 -99.200 -91.000 TYR 73 0.840 -59.240 33.721 7.834 -99.200 -91.000 PHE 88 1.000 -61.303 25.189 0.207 -99.200 -91.000 TRP 103 1.040 -49.875 27.799 5.606 -99.200 -91.000 TRP6 103 1.020 -48.460 29.662 6.021 -99.200 -91.000 PHE 114 1.000 -37.384 44.388 -5.539 -99.200 -91.000 TYR 116 0.840 -38.942 50.334 -6.062 -99.200 -91.000 TRP 125 1.040 -42.221 68.406 3.094 -99.200 -91.000 TRP6 125 1.020 -40.216 69.238 4.058 -99.200 -91.000 TRP 126 1.040 -46.268 60.035 6.231 -99.200 -91.000 TRP6 126 1.020 -47.691 59.029 4.584 -99.200 -91.000 HIS 134 0.900 -42.497 41.399 -2.449 -99.200 -91.000 TYR 136 0.840 -36.789 33.942 -2.348 -99.200 -91.000 TYR 143 0.840 -35.310 57.635 4.137 -99.200 -91.000 TRP 149 1.040 -27.253 53.235 3.472 -99.200 -91.000 TRP6 149 1.020 -28.626 53.056 1.553 -99.200 -91.000 TYR 157 0.840 -50.339 51.941 5.355 -99.200 -91.000 HIS 159 0.900 -48.319 51.297 0.326 -99.200 -91.000 PHE 160 1.000 -40.837 48.020 3.621 -99.200 -91.000 TYR 198 0.840 -45.926 58.798 -7.748 -99.200 -91.000 HIS 203 0.900 -34.587 51.275 -12.397 -99.200 -91.000 PHE 206 1.000 -35.644 41.187 -2.162 -99.200 -91.000