============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 3 0.900 15.335 11.668 125.322 -99.200 -91.000 TYR 4 0.840 15.033 9.033 128.580 -99.200 -91.000 PHE 10 1.000 4.320 12.841 119.999 -99.200 -91.000 HIS 24 0.900 4.235 22.402 123.856 -99.200 -91.000 TYR 25 0.840 3.689 18.122 125.722 -99.200 -91.000 TYR 47 0.840 1.324 -0.714 114.677 -99.200 -91.000 TYR 97 0.840 0.697 -1.983 126.199 -99.200 -91.000 HIS 118 0.900 -4.259 -30.787 119.336 -99.200 -91.000 HIS 123 0.900 5.745 -30.488 106.707 -99.200 -91.000 TYR 124 0.840 11.810 -30.076 111.153 -99.200 -91.000 TYR 128 0.840 -4.153 -28.622 112.387 -99.200 -91.000 TYR 130 0.840 -5.950 -26.505 106.305 -99.200 -91.000 HIS 132 0.900 -8.027 -21.922 105.900 -99.200 -91.000 HIS 133 0.900 -9.409 -29.700 104.772 -99.200 -91.000 PHE 134 1.000 -13.628 -29.350 110.270 -99.200 -91.000 TRP 138 1.040 -13.908 -21.823 115.258 -99.200 -91.000 TRP6 138 1.020 -15.471 -23.188 116.398 -99.200 -91.000 TYR 143 0.840 -6.558 -24.142 117.596 -99.200 -91.000 TYR 153 0.840 -3.113 -15.136 128.377 -99.200 -91.000 TYR 154 0.840 -9.315 -9.190 122.139 -99.200 -91.000 TYR 162 0.840 -11.066 -3.962 112.024 -99.200 -91.000 TYR 170 0.840 -12.636 -13.260 122.985 -99.200 -91.000 TYR 171 0.840 -17.416 -11.336 124.367 -99.200 -91.000 TRP 176 1.040 -20.271 -20.571 116.472 -99.200 -91.000 TRP6 176 1.020 -18.819 -19.668 114.838 -99.200 -91.000