Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 FLAG polypeptide(L) 1.A1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.D2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.450 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) FLAG polypeptide(L) 1.E3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.214 HA :: 4.213 HB2 :: 2.164 HB3 :: 1.591 HG2 :: 1.789 HG3 :: 2.103 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) FLAG polypeptide(L) 1.T4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.208 HA :: 4.367 HB :: 4.013 HG21 :: 0.550 HG22 :: 0.550 HG23 :: 0.550 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) FLAG polypeptide(L) 1.L5 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> H :: 8.068 HA :: 3.094 HB2 :: 0.727 HB3 :: 0.863 HG :: -0.152(S) HD11 :: -0.108 HD12 :: -0.108 HD13 :: -0.108 HD21 :: 0.122 HD22 :: 0.122 HD23 :: 0.122 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) FLAG polypeptide(L) 1.A6 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Anomalous N Shifts: Indeterminable H Shift Assignments>> H :: 7.938 HA :: 2.662(S) HB1 :: -1.578(A) HB2 :: -1.578(A) HB3 :: -1.578(A) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) FLAG polypeptide(L) 1.E7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 6.938 HA :: 3.273 HB2 :: 1.705 HB3 :: 1.757 HG2 :: 1.942 HG3 :: 1.851 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) FLAG polypeptide(L) 1.F8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.568 HA :: 3.752 HB2 :: 2.471 HB3 :: 2.155 HD1 :: 5.739 HD2 :: 5.740 HE1 :: 6.750 HE2 :: 6.751 HZ :: 7.466 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) FLAG polypeptide(L) 1.H9 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Anomalous N Shifts: Indeterminable H Shift Assignments>> H :: 6.505 HA :: 2.781(S) HB2 :: 1.956 HB3 :: 1.861 HD1 :: 8.607 HD2 :: 1.101(A) HE1 :: 1.309(A) Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) FLAG polypeptide(L) 1.V10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.569 HA :: 3.499 HB :: 2.272 HG11 :: 1.097 HG12 :: 1.097 HG13 :: 1.097 HG21 :: 1.573 HG22 :: 1.573 HG23 :: 1.573 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) FLAG polypeptide(L) 1.E11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.185 HA :: 3.843 HB2 :: 1.851 HB3 :: 1.761 HG2 :: 2.120 HG3 :: 2.285 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) FLAG polypeptide(L) 1.M12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 6.578 HA :: 4.240 HB2 :: 1.953 HB3 :: 1.860 HG2 :: 2.196 HE1 :: 0.314 HE2 :: 0.314 HE3 :: 0.314 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) FLAG polypeptide(L) 1.G13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.583 HA2 :: 4.459 HA3 :: 3.916 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) FLAG polypeptide(L) 1.G14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.818 HA2 :: 4.646 HA3 :: 4.203 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) FLAG polypeptide(L) 1.C15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 9.211 HA :: 5.103 HB2 :: 2.641 HB3 :: 2.766 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) FLAG polypeptide(L) 1.E16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 9.687 HA :: 4.684 HB2 :: 2.026 HB3 :: 1.917 HG2 :: 2.370 HG3 :: 2.108 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) FLAG polypeptide(L) 1.N17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.564 HA :: 4.312 HB2 :: 2.663 HD21 :: 6.238 HD22 :: 5.737 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) FLAG polypeptide(L) 1.C18 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> H :: 6.420 HA :: 4.663 HB2 :: 0.629(S) HB3 :: 2.189 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) FLAG polypeptide(L) 1.H19 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Anomalous N Shifts: Indeterminable H Shift Assignments>> H :: 6.637 HA :: 3.768 HB2 :: 0.573(S) HB3 :: 0.797(S) HD1 :: 10.802 HD2 :: 0.139(A) HE1 :: 0.867(A) Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) FLAG polypeptide(L) 1.A20 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> H :: 7.669 HA :: 3.596 HB1 :: 0.236(S) HB2 :: 0.236(S) HB3 :: 0.236(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) FLAG polypeptide(L) 1.D21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 9.152 HA :: 4.059 HB2 :: 2.714 HB3 :: 2.368 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) FLAG polypeptide(L) 1.G22 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> H :: 7.497 HA2 :: 3.774 HA3 :: 2.380(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) FLAG polypeptide(L) 1.E23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 6.896 HA :: 4.029 HB2 :: 1.473 HB3 :: 1.359 HG2 :: 1.855 HG3 :: 1.810 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) FLAG polypeptide(L) 1.P24 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Anomalous N Shifts: Indeterminable H Shift Assignments>> HA :: 2.264(S) HB2 :: 1.035 HB3 :: -0.717(A) HG2 :: 1.116 HG3 :: -0.673(S) HD2 :: 2.985 HD3 :: 1.977(S) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.S25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.295 HA :: 4.243 HB2 :: 4.015 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) FLAG polypeptide(L) 1.K26 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.813 HA :: 4.369 HB2 :: 1.512 HB3 :: 1.708 HG2 :: 1.879 HE2 :: 3.050 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) FLAG polypeptide(L) 1.D27 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.852 HA :: 4.833 HB2 :: 3.103 HB3 :: 2.653 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) FLAG polypeptide(L) 1.G28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.560 HA2 :: 4.397 HA3 :: 4.177 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) FLAG polypeptide(L) 1.A29 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.375 HA :: 4.391 HB1 :: 1.607 HB2 :: 1.607 HB3 :: 1.607 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) FLAG polypeptide(L) 1.Y30 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.661 HA :: 4.014 HB2 :: 3.123 HB3 :: 2.530 HD1 :: 6.911 HD2 :: 6.912 HE1 :: 6.332 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) FLAG polypeptide(L) 1.E31 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> H :: 9.525 HA :: 4.238 HB2 :: 2.795(S) HG2 :: 3.133(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) FLAG polypeptide(L) 1.F32 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Anomalous N Shifts: Indeterminable H Shift Assignments>> H :: 8.247 HA :: 5.401 HB2 :: 4.178 HB3 :: 3.657 HD1 :: 8.026(A) HE1 :: 7.815 HE2 :: 7.818 HZ :: 7.690 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) FLAG polypeptide(L) 1.E33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.353 HA :: 3.763 HB2 :: 2.134 HB3 :: 2.009 HG2 :: 2.357 HG3 :: 2.334 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) FLAG polypeptide(L) 1.Q34 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> H :: 8.408 HA :: 4.288 HB2 :: 3.029(S) HB3 :: 2.845 HG2 :: 2.362 HG3 :: 2.222 HE21 :: 6.013 HE22 :: 6.608 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) FLAG polypeptide(L) 1.C35 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 10.043 HA :: 5.048 HB2 :: 3.651 HB3 :: 3.561 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) FLAG polypeptide(L) 1.Q36 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> H :: 7.667 HA :: 4.122 HB2 :: 1.692 HG2 :: 2.337 HG3 :: 1.981 HE21 :: 6.207 HE22 :: 5.039(S) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) FLAG polypeptide(L) 1.S37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.069 HA :: 4.104 HB2 :: 4.009 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) FLAG polypeptide(L) 1.C38 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> H :: 6.534 HA :: 4.458 HB2 :: 1.361(S) HB3 :: 2.245 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) FLAG polypeptide(L) 1.H39 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Anomalous N Shifts: Indeterminable H Shift Assignments>> H :: 7.195 HA :: 3.167 HB2 :: 1.800 HB3 :: 1.717 HD1 :: 9.543 HD2 :: 1.275(A) HE1 :: 1.553(A) Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) FLAG polypeptide(L) 1.G40 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.528 HA2 :: 3.838 HA3 :: 3.336 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) FLAG polypeptide(L) 1.S41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.364 HA :: 4.332 HB2 :: 3.820 HB3 :: 3.596 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) FLAG polypeptide(L) 1.L42 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.713 HA :: 3.145 HB2 :: 1.521 HB3 :: 0.630 HG :: 1.756 HD11 :: 0.944 HD12 :: 0.944 HD13 :: 0.944 HD21 :: 0.507 HD22 :: 0.507 HD23 :: 0.507 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) FLAG polypeptide(L) 1.A43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.277 HA :: 3.522 HB1 :: 1.091 HB2 :: 1.091 HB3 :: 1.091 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) FLAG polypeptide(L) 1.E44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 6.953 HA :: 4.001 HB2 :: 1.615 HG2 :: 1.924 HG3 :: 1.846 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) FLAG polypeptide(L) 1.M45 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> H :: 6.301 HA :: 3.491 HB2 :: 0.380(S) HB3 :: -0.224(S) HG2 :: 0.756(S) HG3 :: 1.802 HE1 :: 0.524 HE2 :: 0.524 HE3 :: 0.524 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) FLAG polypeptide(L) 1.D46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 6.781 HA :: 3.893 HB2 :: 2.996 HB3 :: 2.110 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) FLAG polypeptide(L) 1.D47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.863 HA :: 3.940 HB2 :: 2.606 HB3 :: 2.319 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) FLAG polypeptide(L) 1.N48 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> H :: 7.316 HA :: 4.186 HB2 :: 1.585(S) HB3 :: 1.946 HD21 :: 8.353 HD22 :: 7.441 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) FLAG polypeptide(L) 1.H49 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Anomalous N Shifts: Indeterminable H Shift Assignments>> H :: 6.197 HA :: 1.562(A) HB2 :: 1.125(S) HB3 :: 0.926(S) HD1 :: 8.777 HD2 :: 0.153(A) HE1 :: 1.225(A) Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) FLAG polypeptide(L) 1.K50 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> H :: 7.161 HA :: 3.125 HB2 :: 0.983 HB3 :: 0.916(S) HG2 :: 1.218 HG3 :: 1.162 HE2 :: 2.772 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) FLAG polypeptide(L) 1.P51 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Anomalous N Shifts: Indeterminable H Shift Assignments>> HA :: 3.694 HB2 :: 1.695 HB3 :: -0.896(A) HG2 :: 1.476 HG3 :: 0.531(S) HD2 :: 1.761(S) HD3 :: 2.768 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.H52 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Anomalous N Shifts: Indeterminable H Shift Assignments>> H :: 6.170 HA :: 2.763(S) HB2 :: 1.832 HB3 :: 1.321(S) HD1 :: 6.962 HD2 :: 0.897(A) HE1 :: 1.323(A) Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) FLAG polypeptide(L) 1.D53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 6.870 HA :: 4.033 HB2 :: 2.361 HB3 :: 2.024 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) FLAG polypeptide(L) 1.G54 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.685 HA2 :: 4.253 HA3 :: 3.660 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) FLAG polypeptide(L) 1.L55 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.965 HA :: 4.636 HB2 :: 1.423 HB3 :: 1.576 HD11 :: 1.050 HD12 :: 1.050 HD13 :: 1.050 HD21 :: 1.090 HD22 :: 1.090 HD23 :: 1.090 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) FLAG polypeptide(L) 1.L56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.090 HA :: 4.894 HB2 :: 1.377 HB3 :: 1.920 HG :: 1.286 HD11 :: 0.369 HD12 :: 0.369 HD13 :: 0.369 HD21 :: 1.176 HD22 :: 1.176 HD23 :: 1.176 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) FLAG polypeptide(L) 1.M57 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 9.052 HA :: 4.032 HB2 :: 1.803 HB3 :: 1.376 HG2 :: 2.456 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) FLAG polypeptide(L) 1.C58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.800 HA :: 5.550 HB2 :: 3.600 HB3 :: 3.411 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) FLAG polypeptide(L) 1.A59 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 9.149 HA :: 4.072 HB1 :: 1.983 HB2 :: 1.983 HB3 :: 1.983 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) FLAG polypeptide(L) 1.D60 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.878 HA :: 4.543 HB2 :: 3.157 HB3 :: 2.909 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) FLAG polypeptide(L) 1.C61 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> H :: 6.557 HA :: 4.728 HB2 :: 1.858 HB3 :: 1.371(S) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) FLAG polypeptide(L) 1.H62 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Anomalous N Shifts: Indeterminable H Shift Assignments>> H :: 7.267 HA :: 3.031 HB2 :: 1.503(S) HB3 :: 1.639 HD1 :: 9.817 HD2 :: 0.849(A) HE1 :: 1.322(A) Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) FLAG polypeptide(L) 1.A63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.251 HA :: 4.202 HB1 :: 1.077 HB2 :: 1.077 HB3 :: 1.077 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) FLAG polypeptide(L) 1.P64 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> HA :: 3.270 HB2 :: -0.449(S) HB3 :: 0.644(S) HG2 :: 2.124 HG3 :: 1.502 HD2 :: 3.222 HD3 :: 4.075 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.H65 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Anomalous N Shifts: Indeterminable H Shift Assignments>> H :: 7.148 HA :: 2.937(S) HB2 :: 1.152(S) HB3 :: 1.558(S) HD1 :: 8.629 HD2 :: 0.837(A) HE1 :: 1.160(A) Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) FLAG polypeptide(L) 1.E66 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.113 HA :: 3.936 HB2 :: 1.704 HB3 :: 1.476 HG2 :: 1.809 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) FLAG polypeptide(L) 1.A67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.983 HA :: 3.852 HB1 :: 0.817 HB2 :: 0.817 HB3 :: 0.817 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) FLAG polypeptide(L) 1.K68 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.981 HA :: 4.293 HB2 :: 1.283 HB3 :: 1.226 HG2 :: 1.075 HG3 :: 1.211 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) FLAG polypeptide(L) 1.V69 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.859 HA :: 3.207 HB :: 1.493 HG11 :: 0.446 HG12 :: 0.446 HG13 :: 0.446 HG21 :: 0.271 HG22 :: 0.271 HG23 :: 0.271 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) FLAG polypeptide(L) 1.G70 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.901 HA2 :: 4.234 HA3 :: 3.817 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) FLAG polypeptide(L) 1.E71 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.596 HA :: 4.437 HB2 :: 2.065 HB3 :: 1.889 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) FLAG polypeptide(L) 1.K72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.483 HA :: 4.571 HB2 :: 2.075 HG2 :: 1.889 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) FLAG polypeptide(L) 1.P73 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Anomalous N Shifts: Indeterminable H Shift Assignments>> HA :: 4.419 HB2 :: 2.193 HB3 :: 2.336 HG2 :: -1.125(A) HG3 :: 0.123(S) HD2 :: 2.554 HD3 :: 2.456 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.T74 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.511 HA :: 5.336 HB :: 4.748 HG21 :: 1.512 HG22 :: 1.512 HG23 :: 1.512 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) FLAG polypeptide(L) 1.C75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.998 HA :: 5.967 HB2 :: 2.748 HB3 :: 2.688 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) FLAG polypeptide(L) 1.D76 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.504 HA :: 4.565 HB2 :: 2.725 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) FLAG polypeptide(L) 1.T77 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.809 HA :: 3.983 HB :: 4.580 HG21 :: 1.581 HG22 :: 1.581 HG23 :: 1.581 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) FLAG polypeptide(L) 1.C78 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> H :: 6.634 HA :: 4.427 HB2 :: 2.432 HB3 :: 0.969(S) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) FLAG polypeptide(L) 1.H79 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Anomalous N Shifts: Indeterminable H Shift Assignments>> H :: 7.043 HA :: 3.437 HB2 :: 1.181(S) HB3 :: 1.324(S) HD1 :: 8.803 HD2 :: 0.771(A) HE1 :: 1.221(A) Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) FLAG polypeptide(L) 1.D80 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.826 HA :: 4.464 HB2 :: 2.606 HB3 :: 2.342 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) FLAG polypeptide(L) 1.D81 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.139 HA :: 4.321 HB2 :: 2.826 HB3 :: 2.271 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) FLAG polypeptide(L) 1.G82 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.545 HA2 :: 3.871 HA3 :: 3.534 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) FLAG polypeptide(L) 1.R83 Overall: Suspicious Typing: Indeterminable SRO: Suspicious C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> H :: 6.845 HA :: 4.250 HB2 :: 0.532(S) HB3 :: 1.025 HG2 :: -0.341(S) HG3 :: 2.042 HD2 :: 1.802(S) HD3 :: 1.688(S) HE :: 7.574 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) SRO Rule Breaks>> (HD2 > HG3 : 0.9983) (HD3 > HG3 : 0.9982) FLAG polypeptide(L) 1.T84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.063 HA :: 5.059 HB :: 4.541 HG21 :: 1.321 HG22 :: 1.321 HG23 :: 1.321 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) FLAG polypeptide(L) 1.A85 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.904 HA :: 4.736 HB1 :: 1.941 HB2 :: 1.941 HB3 :: 1.941 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) FLAG polypeptide(L) 1.K86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 9.487 HA :: 4.307 HB2 :: 1.803 HB3 :: 1.711 HG2 :: 1.943 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) FLAG 2.HEM_red1 Overall Status: Residue type HEM_red not supported. ########################################################################### Overall Results: #Consistent: 58 #Clerical: 0 #Suspicious: 15 #Anomalous: 13 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 0 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 86 Shift Relative Order (SRO) Results: #Consistent: 85 #Suspicious: 1 C Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 406 #Duplicate: 0 #Unknown: 0 #Suspicious: 44 #Anomalous: 24 N Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L5 HG = -0.152(S), Expected = 1.54, Std = 0.3300, ChiSquare = 2.9397e-07 1.A6 HA = 2.662(S), Expected = 4.26, Std = 0.4200, ChiSquare = 1.4194e-04 1.A6 HB1 = -1.578(A), Expected = 1.38, Std = 0.2500, ChiSquare = 2.6671e-32 1.A6 HB2 = -1.578(A), Expected = 1.38, Std = 0.2500, ChiSquare = 2.6671e-32 1.A6 HB3 = -1.578(A), Expected = 1.38, Std = 0.2500, ChiSquare = 2.6671e-32 1.H9 HA = 2.781(S), Expected = 4.62, Std = 0.5100, ChiSquare = 3.1109e-04 1.H9 HD2 = 1.101(A), Expected = 7.08, Std = 0.5000, ChiSquare = 5.8965e-33 1.H9 HE1 = 1.309(A), Expected = 8.08, Std = 0.5700, ChiSquare = 1.5227e-32 1.C18 HB2 = 0.629(S), Expected = 2.95, Std = 0.4300, ChiSquare = 6.7510e-08 1.H19 HB2 = 0.573(S), Expected = 3.12, Std = 0.4300, ChiSquare = 3.1563e-09 1.H19 HB3 = 0.797(S), Expected = 3.11, Std = 0.4500, ChiSquare = 2.7474e-07 1.H19 HD2 = 0.139(A), Expected = 7.08, Std = 0.5000, ChiSquare = 8.1439e-44 1.H19 HE1 = 0.867(A), Expected = 8.08, Std = 0.5700, ChiSquare = 1.0580e-36 1.A20 HB1 = 0.236(S), Expected = 1.38, Std = 0.2500, ChiSquare = 4.7395e-06 1.A20 HB2 = 0.236(S), Expected = 1.38, Std = 0.2500, ChiSquare = 4.7395e-06 1.A20 HB3 = 0.236(S), Expected = 1.38, Std = 0.2500, ChiSquare = 4.7395e-06 1.G22 HA3 = 2.380(S), Expected = 3.93, Std = 0.4000, ChiSquare = 1.0662e-04 1.P24 HA = 2.264(S), Expected = 4.41, Std = 0.3600, ChiSquare = 2.5053e-09 1.P24 HB3 = -0.717(A), Expected = 2.05, Std = 0.3900, ChiSquare = 1.2947e-12 1.P24 HG3 = -0.673(S), Expected = 1.92, Std = 0.3700, ChiSquare = 2.4156e-12 1.P24 HD3 = 1.977(S), Expected = 3.63, Std = 0.4000, ChiSquare = 3.5884e-05 1.E31 HB2 = 2.795(S), Expected = 2.04, Std = 0.2200, ChiSquare = 5.9955e-04 1.E31 HG2 = 3.133(S), Expected = 2.31, Std = 0.2100, ChiSquare = 8.8900e-05 1.F32 HD1 = 8.026(A), Expected = 6.91, Std = 0.8200, ChiSquare = 1.7352e-01 1.Q34 HB2 = 3.029(S), Expected = 2.05, Std = 0.2800, ChiSquare = 4.7153e-04 1.Q36 HE22 = 5.039(S), Expected = 7.07, Std = 0.4900, ChiSquare = 3.3997e-05 1.C38 HB2 = 1.361(S), Expected = 2.95, Std = 0.4300, ChiSquare = 2.1959e-04 1.H39 HD2 = 1.275(A), Expected = 7.08, Std = 0.5000, ChiSquare = 3.6662e-31 1.H39 HE1 = 1.553(A), Expected = 8.08, Std = 0.5700, ChiSquare = 2.3278e-30 1.M45 HB2 = 0.380(S), Expected = 2.03, Std = 0.3800, ChiSquare = 1.4112e-05 1.M45 HB3 = -0.224(S), Expected = 2.01, Std = 0.3600, ChiSquare = 5.4504e-10 1.M45 HG2 = 0.756(S), Expected = 2.44, Std = 0.3600, ChiSquare = 2.9000e-06 1.N48 HB2 = 1.585(S), Expected = 2.80, Std = 0.3400, ChiSquare = 3.5220e-04 1.H49 HA = 1.562(A), Expected = 4.62, Std = 0.5100, ChiSquare = 2.0214e-09 1.H49 HB2 = 1.125(S), Expected = 3.12, Std = 0.4300, ChiSquare = 3.4919e-06 1.H49 HB3 = 0.926(S), Expected = 3.11, Std = 0.4500, ChiSquare = 1.2140e-06 1.H49 HD2 = 0.153(A), Expected = 7.08, Std = 0.5000, ChiSquare = 1.2032e-43 1.H49 HE1 = 1.225(A), Expected = 8.08, Std = 0.5700, ChiSquare = 2.5844e-33 1.K50 HB3 = 0.916(S), Expected = 1.78, Std = 0.2600, ChiSquare = 8.9030e-04 1.P51 HB3 = -0.896(A), Expected = 2.05, Std = 0.3900, ChiSquare = 4.2259e-14 1.P51 HG3 = 0.531(S), Expected = 1.92, Std = 0.3700, ChiSquare = 1.7400e-04 1.P51 HD2 = 1.761(S), Expected = 3.64, Std = 0.3600, ChiSquare = 1.7946e-07 1.H52 HA = 2.763(S), Expected = 4.62, Std = 0.5100, ChiSquare = 2.7140e-04 1.H52 HB3 = 1.321(S), Expected = 3.11, Std = 0.4500, ChiSquare = 7.0215e-05 1.H52 HD2 = 0.897(A), Expected = 7.08, Std = 0.5000, ChiSquare = 3.9921e-35 1.H52 HE1 = 1.323(A), Expected = 8.08, Std = 0.5700, ChiSquare = 2.0422e-32 1.C61 HB3 = 1.371(S), Expected = 2.98, Std = 0.4500, ChiSquare = 3.4948e-04 1.H62 HB2 = 1.503(S), Expected = 3.12, Std = 0.4300, ChiSquare = 1.6960e-04 1.H62 HD2 = 0.849(A), Expected = 7.08, Std = 0.5000, ChiSquare = 1.2031e-35 1.H62 HE1 = 1.322(A), Expected = 8.08, Std = 0.5700, ChiSquare = 1.9998e-32 1.P64 HB2 = -0.449(S), Expected = 2.05, Std = 0.3900, ChiSquare = 1.4774e-10 1.P64 HB3 = 0.644(S), Expected = 2.05, Std = 0.3900, ChiSquare = 3.1200e-04 1.H65 HA = 2.937(S), Expected = 4.62, Std = 0.5100, ChiSquare = 9.6685e-04 1.H65 HB2 = 1.152(S), Expected = 3.12, Std = 0.4300, ChiSquare = 4.7227e-06 1.H65 HB3 = 1.558(S), Expected = 3.11, Std = 0.4500, ChiSquare = 5.6290e-04 1.H65 HD2 = 0.837(A), Expected = 7.08, Std = 0.5000, ChiSquare = 8.9018e-36 1.H65 HE1 = 1.160(A), Expected = 8.08, Std = 0.5700, ChiSquare = 6.4549e-34 1.P73 HG2 = -1.125(A), Expected = 1.93, Std = 0.3600, ChiSquare = 2.1367e-17 1.P73 HG3 = 0.123(S), Expected = 1.92, Std = 0.3700, ChiSquare = 1.1932e-06 1.C78 HB3 = 0.969(S), Expected = 2.98, Std = 0.4500, ChiSquare = 7.8627e-06 1.H79 HB2 = 1.181(S), Expected = 3.12, Std = 0.4300, ChiSquare = 6.5041e-06 1.H79 HB3 = 1.324(S), Expected = 3.11, Std = 0.4500, ChiSquare = 7.2209e-05 1.H79 HD2 = 0.771(A), Expected = 7.08, Std = 0.5000, ChiSquare = 1.6803e-36 1.H79 HE1 = 1.221(A), Expected = 8.08, Std = 0.5700, ChiSquare = 2.3738e-33 1.R83 HB2 = 0.532(S), Expected = 1.79, Std = 0.2800, ChiSquare = 7.0274e-06 1.R83 HG2 = -0.341(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.1206e-12 1.R83 HD2 = 1.802(S), Expected = 3.13, Std = 0.2300, ChiSquare = 7.7451e-09 1.R83 HD3 = 1.688(S), Expected = 3.13, Std = 0.2200, ChiSquare = 5.5812e-11 1.R83 SRO Rule Break>> HD2 > HG3 : 0.998289867464728 1.R83 SRO Rule Break>> HD3 > HG3 : 0.998244844229925