============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 3 1.040 12.723 116.931 25.199 -99.200 -91.000 TRP6 3 1.020 10.645 116.471 24.175 -99.200 -91.000 PHE 19 1.000 20.700 103.038 17.519 -99.200 -91.000 PHE 20 1.000 28.878 101.709 21.595 -99.200 -91.000 PHE 22 1.000 33.539 99.938 21.149 -99.200 -91.000 TYR 23 0.840 36.869 103.429 14.076 -99.200 -91.000 TYR 28 0.840 37.837 107.834 25.770 -99.200 -91.000 PHE 30 1.000 27.490 111.847 25.911 -99.200 -91.000 HIS 41 0.900 21.824 107.904 40.598 -99.200 -91.000 TYR 51 0.840 20.388 98.467 20.279 -99.200 -91.000 HIS 52 0.900 30.431 100.006 17.045 -99.200 -91.000 HIS 61 0.900 29.663 97.519 7.814 -99.200 -91.000 TRP 67 1.040 27.735 96.572 21.286 -99.200 -91.000 TRP6 67 1.020 28.971 97.103 23.238 -99.200 -91.000 PHE 81 1.000 36.566 95.681 20.832 -99.200 -91.000 PHE 82 1.000 34.237 103.926 23.733 -99.200 -91.000 HIS 91 0.900 46.476 100.678 14.314 -99.200 -91.000 PHE 100 1.000 34.360 89.486 22.227 -99.200 -91.000 TYR 110 0.840 36.507 87.013 17.906 -99.200 -91.000 PHE 129 1.000 22.457 104.218 11.398 -99.200 -91.000 TYR 132 0.840 15.473 103.281 18.450 -99.200 -91.000 TYR 141 0.840 17.468 107.715 19.034 -99.200 -91.000 TYR 146 0.840 9.705 111.660 24.771 -99.200 -91.000 HIS 147 0.900 18.480 112.372 18.416 -99.200 -91.000 PHE 153 1.000 21.394 118.451 27.251 -99.200 -91.000 PHE 156 1.000 30.737 128.722 31.739 -99.200 -91.000 PHE 161 1.000 27.382 117.931 28.093 -99.200 -91.000 TYR 165 0.840 23.028 113.800 27.203 -99.200 -91.000