============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 13 1.040 65.806 36.851 80.065 -99.200 -91.000 TRP6 13 1.020 64.398 37.179 81.937 -99.200 -91.000 TRP 17 1.040 70.494 36.720 86.691 -99.200 -91.000 TRP6 17 1.020 70.205 35.954 88.903 -99.200 -91.000 PHE 24 1.000 64.597 37.118 88.653 -99.200 -91.000 HIS 25 0.900 66.250 34.620 95.152 -99.200 -91.000 HIS 30 0.900 55.491 29.705 94.663 -99.200 -91.000 HIS 36 0.900 49.373 22.544 97.917 -99.200 -91.000 PHE 40 1.000 52.811 19.387 94.907 -99.200 -91.000 PHE 50 1.000 65.367 21.041 83.741 -99.200 -91.000 PHE 51 1.000 64.091 23.380 91.384 -99.200 -91.000 TRP 62 1.040 63.158 25.076 100.399 -99.200 -91.000 TRP6 62 1.020 60.990 25.937 99.969 -99.200 -91.000 PHE 63 1.000 61.743 19.817 95.155 -99.200 -91.000 HIS 68 0.900 63.298 13.754 96.861 -99.200 -91.000 PHE 83 1.000 71.597 26.926 94.707 -99.200 -91.000 PHE 84 1.000 76.592 25.607 93.103 -99.200 -91.000 TYR 91 0.840 81.200 26.867 92.332 -99.200 -91.000 PHE 105 1.000 79.234 27.238 86.966 -99.200 -91.000 TYR 115 0.840 73.345 20.317 82.385 -99.200 -91.000 PHE 120 1.000 64.177 27.986 74.049 -99.200 -91.000 PHE 130 1.000 65.943 16.107 84.933 -99.200 -91.000 TRP 134 1.040 59.697 25.283 91.656 -99.200 -91.000 TRP6 134 1.020 57.482 25.479 92.471 -99.200 -91.000 TYR 150 0.840 59.705 26.184 79.094 -99.200 -91.000 PHE 155 1.000 54.679 17.789 76.911 -99.200 -91.000 PHE 162 1.000 54.536 13.911 82.977 -99.200 -91.000 TYR 164 0.840 56.086 21.135 83.598 -99.200 -91.000 TYR 171 0.840 50.632 40.142 83.743 -99.200 -91.000 HIS 176 0.900 54.953 43.969 83.098 -99.200 -91.000 PHE 181 1.000 57.264 37.765 78.027 -99.200 -91.000 TYR 182 0.840 47.030 36.379 80.883 -99.200 -91.000 HIS 185 0.900 42.722 26.103 82.303 -99.200 -91.000 PHE 192 1.000 52.957 22.568 79.407 -99.200 -91.000 PHE 207 1.000 49.644 44.909 93.361 -99.200 -91.000 HIS 211 0.900 54.140 41.835 92.116 -99.200 -91.000 TRP 214 1.040 55.917 44.082 87.324 -99.200 -91.000 TRP6 214 1.020 55.168 41.840 87.387 -99.200 -91.000 PHE 220 1.000 43.814 37.339 92.389 -99.200 -91.000 TYR 224 0.840 47.119 25.789 85.945 -99.200 -91.000