============================================================================= 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. PHE 11 1.000 65.899 19.154 84.602 -99.200 -91.000 HIS 13 0.900 68.238 10.645 90.116 -99.200 -91.000 PHE 14 1.000 68.697 18.853 89.811 -99.200 -91.000 TYR 19 0.840 64.004 23.107 91.253 -99.200 -91.000 TYR 26 0.840 67.618 23.273 94.184 -99.200 -91.000 PHE 37 1.000 84.844 26.974 100.155 -99.200 -91.000 PHE 40 1.000 90.811 29.223 88.765 -99.200 -91.000 HIS 51 0.900 79.309 14.130 91.638 -99.200 -91.000 PHE 55 1.000 83.157 22.788 97.488 -99.200 -91.000 PHE 61 1.000 82.164 32.124 89.448 -99.200 -91.000 TYR 73 0.840 95.520 41.772 84.689 -99.200 -91.000 TYR 78 0.840 97.119 33.017 79.163 -99.200 -91.000 TYR 87 0.840 79.995 37.420 88.074 -99.200 -91.000 HIS 91 0.900 81.661 42.279 89.197 -99.200 -91.000 HIS 102 0.900 93.271 14.999 87.862 -99.200 -91.000 PHE 114 1.000 102.128 17.738 74.381 -99.200 -91.000 PHE 116 1.000 105.635 22.525 76.219 -99.200 -91.000 TYR 120 0.840 103.680 24.605 70.759 -99.200 -91.000 PHE 124 1.000 93.049 25.708 69.666 -99.200 -91.000 TRP 128 1.040 95.293 25.190 79.204 -99.200 -91.000 TRP6 128 1.020 94.552 27.369 79.827 -99.200 -91.000 HIS 143 0.900 111.643 15.371 93.412 -99.200 -91.000 PHE 148 1.000 106.149 10.696 82.005 -99.200 -91.000 HIS 154 0.900 108.019 14.322 93.193 -99.200 -91.000 TYR 170 0.840 94.724 36.922 87.335 -99.200 -91.000 PHE 172 1.000 91.132 41.043 89.644 -99.200 -91.000 TYR 188 0.840 97.869 15.153 93.970 -99.200 -91.000 TYR 189 0.840 89.834 12.724 93.945 -99.200 -91.000 PHE 191 1.000 91.890 9.775 89.153 -99.200 -91.000 PHE 196 1.000 91.235 17.721 98.413 -99.200 -91.000 TRP 199 1.040 99.553 23.678 98.900 -99.200 -91.000 TRP6 199 1.020 98.963 21.810 97.603 -99.200 -91.000 PHE 203 1.000 100.827 39.006 98.429 -99.200 -91.000 PHE 209 1.000 113.049 52.933 104.631 -99.200 -91.000