Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.4HH41 Overall Status: Residue type 4HH not supported. 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> M 0.69 Q 0.25 K 0.02 E 0.02 C Shift Assignments>> C :: 176.008 CA :: 55.493(D) CB :: 33.054(D) CG :: 32.048(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 4.469(D) HB2 :: 2.073(D) HB3 :: 2.053(D) HG2 :: 2.609(D) HG3 :: 2.609(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.A4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.88 M 0.1 C Shift Assignments>> C :: 177.746 CA :: 52.682(D) CB :: 19.313(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.338 HA :: 4.375(D) HB1 :: 1.408(D) HB2 :: 1.408(D) HB3 :: 1.408(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.578 Ave N Shift Values>> N :: 123.23(3.54) 1.T5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.168 CA :: 61.726(D) CB :: 69.837(D) CG2 :: 21.700(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.017 HA :: 4.295(D) HB :: 4.214(D) HG21 :: 1.210(D) HG22 :: 1.210(D) HG23 :: 1.210(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.075 Ave N Shift Values>> N :: 115.42(4.75) 1.A6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.9 M 0.08 C Shift Assignments>> C :: 177.422 CA :: 52.483 CB :: 19.430(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.203 HA :: 4.377 HB1 :: 1.389(D) HB2 :: 1.389(D) HB3 :: 1.389(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.357 Ave N Shift Values>> N :: 123.23(3.54) 1.V7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.008 CA :: 62.106(D) CB :: 32.817(D) CG1 :: 20.563(D) CG2 :: 21.295(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.024 HA :: 4.106(D) HB :: 2.068(D) HG11 :: 0.933(D) HG12 :: 0.933(D) HG13 :: 0.933(D) HG21 :: 0.931(D) HG22 :: 0.931(D) HG23 :: 0.931(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.251 Ave N Shift Values>> N :: 121.14(4.54) 1.Q8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Q 0.4 K 0.29 M 0.15 E 0.12 R 0.01 C Shift Assignments>> C :: 175.388 CA :: 55.830(D) CB :: 29.900(D) CG :: 33.991(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.365 HA :: 4.315(D) HB2 :: 1.982(D) HB3 :: 2.025(D) HG2 :: 2.332(D) HG3 :: 2.332(D) HE21 :: 7.572 HE22 :: 6.800 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.202 NE2 :: 112.051 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> N 0.72 D 0.18 F 0.04 L 0.03 C Shift Assignments>> CA :: 51.293(D) CB :: 38.965(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.643 HA :: 4.990(D) HB2 :: 2.858(D) HB3 :: 2.749(D) HD21 :: 6.981 HD22 :: 7.654 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.340 ND2 :: 112.797 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.877 CA :: 63.131(D) CB :: 32.267(D) CG :: 27.057(D) CD :: 49.682(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.469(D) HB2 :: 1.953(D) HB3 :: 2.311(D) HG2 :: 2.019(D) HG3 :: 2.020(D) HD2 :: 3.585(D) HD3 :: 3.581(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.68 R 0.28 G 0.01 C Shift Assignments>> CA :: 58.985(D) CB :: 41.648(D) CG :: 28.802(D) CD1 :: 25.334(D) CD2 :: 24.736(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.479 HA :: 4.200(D) HB2 :: 1.804(D) HB3 :: 1.443(D) HG :: 1.682(D) HD11 :: 0.763(D) HD12 :: 0.763(D) HD13 :: 0.763(D) HD21 :: 0.697(D) HD22 :: 0.697(D) HD23 :: 0.697(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.585 Ave N Shift Values>> N :: 121.86(3.9) 1.E12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> I 0.62 E 0.34 K 0.01 M 0.01 C Shift Assignments>> C :: 178.390 CA :: 60.151(D) CB :: 29.904(D) CG :: 37.749(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.103 HA :: 3.614(D) HB2 :: 1.944(D) HB3 :: 2.244(D) HG2 :: 2.046(D) HG3 :: 2.298(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.762 Ave N Shift Values>> N :: 120.67(3.48) 1.T13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.158 CA :: 66.857(D) CB :: 68.616(D) CG2 :: 22.072 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.835 HA :: 3.895(D) HB :: 4.280(D) HG21 :: 1.287(D) HG22 :: 1.287(D) HG23 :: 1.287(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.603 Ave N Shift Values>> N :: 115.42(4.75) 1.V14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.698 CA :: 66.397(D) CB :: 32.250(D) CG1 :: 22.064(D) CG2 :: 22.913(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.446(D) HA :: 3.804(D) HB :: 2.390(D) HG11 :: 0.960(D) HG12 :: 0.960(D) HG13 :: 0.960(D) HG21 :: 1.188(D) HG22 :: 1.188(D) HG23 :: 1.188(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.094 Ave N Shift Values>> N :: 121.14(4.54) 1.V15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.776 CA :: 67.336(D) CB :: 31.328(D) CG1 :: 23.396(D) CG2 :: 22.676(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.122 HA :: 3.648(D) HB :: 2.364(D) HG11 :: 1.267(D) HG12 :: 1.267(D) HG13 :: 1.267(D) HG21 :: 1.237(D) HG22 :: 1.237(D) HG23 :: 1.237(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.018 Ave N Shift Values>> N :: 121.14(4.54) 1.L16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.74 R 0.21 G 0.03 C Shift Assignments>> C :: 178.233 CA :: 58.747(D) CB :: 42.523(D) CG :: 27.282(D) CD1 :: 25.916(D) CD2 :: 24.449(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.796 HA :: 4.218(D) HB2 :: 2.191(D) HB3 :: 1.692(D) HG :: 1.691(D) HD11 :: 1.096(D) HD12 :: 1.096(D) HD13 :: 1.096(D) HD21 :: 1.126(D) HD22 :: 1.126(D) HD23 :: 1.126(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.617 Ave N Shift Values>> N :: 121.86(3.9) 1.Q17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Q 0.37 K 0.34 R 0.1 E 0.1 I 0.05 M 0.01 HN Overlap>> 1.E71 1.D27 1.E71 1.D27 C Shift Assignments>> C :: 178.110 CA :: 58.832(D) CB :: 28.142(D) CG :: 33.995(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.390 HA :: 3.888(D) HB2 :: 2.285(D) HB3 :: 2.161(D) HG2 :: 2.464(D) HG3 :: 2.491(D) HE21 :: 6.898 HE22 :: 7.666 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.554 NE2 :: 114.108 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.65 A 0.3 I 0.03 C Shift Assignments>> C :: 179.152 CA :: 55.081(D) CB :: 17.362(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.106 HA :: 4.214(D) HB1 :: 1.429(D) HB2 :: 1.429(D) HB3 :: 1.429(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.854 Ave N Shift Values>> N :: 123.23(3.54) 1.W19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 179.656 CA :: 59.315(D) CB :: 29.618(D) CD1 :: 126.149(D) CE3 :: 121.555(D) CZ2 :: 114.419(D) CZ3 :: 120.336(D) CH2 :: 124.807(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.401 HA :: 4.499(D) HB2 :: 3.207(D) HB3 :: 3.248(D) HD1 :: 5.753(S) HE3 :: 7.150(D) HZ2 :: 7.314(D) HZ3 :: 6.505(D) HH2 :: 7.007(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 116.372 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> R 0.52 K 0.25 G 0.21 C Shift Assignments>> C :: 178.992 CA :: 61.436(D) CB :: 32.356(D) CG :: 25.931(D) CD :: 30.109(D) CE :: 43.172(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.860 HA :: 3.410(D) HB2 :: 1.851(D) HB3 :: 1.840(D) HG2 :: 1.452(D) HG3 :: 1.803(D) HD2 :: 1.754(D) HD3 :: 1.754(D) HE2 :: 2.981(D) HE3 :: 3.109(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.454 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> F 0.27 K 0.24 L 0.22 D 0.16 I 0.04 R 0.02 N 0.01 HN Overlap>> 1.Q90 1.Q90 C Shift Assignments>> C :: 177.932 CA :: 57.201(D) CB :: 41.207(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.221 HA :: 4.200(D) HB2 :: 2.651(D) HB3 :: 2.832(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.446 Ave N Shift Values>> N :: 120.65(3.86) 1.I22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.681 CA :: 63.784(D) CB :: 39.741(D) CG1 :: 29.425(D) CG2 :: 17.161(D) CD1 :: 13.879(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.625 HA :: 3.466(D) HB :: 1.371(D) HG12 :: 1.715(D) HG13 :: 0.942(D) HG21 :: 0.613(D) HG22 :: 0.613(D) HG23 :: 0.613(D) HD11 :: 0.738(D) HD12 :: 0.738(D) HD13 :: 0.738(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.187 Ave N Shift Values>> N :: 121.46(4.28) 1.S23 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Anomalous N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 175.934 CA :: 59.225(D) CB :: 65.189(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.882 HA :: 3.026(S) HB2 :: 1.443(A) HB3 :: 3.028(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.745 Ave N Shift Values>> N :: 116.28(3.52) 1.G24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 173.804 CA :: 45.756(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.667 HA2 :: 3.724(D) HA3 :: 3.999(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.237 Ave N Shift Values>> N :: 109.67(3.87) 1.A25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.87 M 0.12 C Shift Assignments>> C :: 176.229 CA :: 51.829(D) CB :: 18.403(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.368(D) HA :: 4.377(D) HB1 :: 1.185(D) HB2 :: 1.185(D) HB3 :: 1.185(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.298 Ave N Shift Values>> N :: 123.23(3.54) 1.D26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.28 K 0.25 D 0.18 F 0.12 R 0.12 N 0.01 C Shift Assignments>> C :: 176.178 CA :: 55.910(D) CB :: 42.053(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.151 HA :: 4.516(D) HB2 :: 2.664(D) HB3 :: 2.659(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.503 Ave N Shift Values>> N :: 120.65(3.86) 1.D27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> D 0.37 N 0.35 L 0.15 F 0.09 K 0.01 HN Overlap>> 1.Q17 1.Q17 C Shift Assignments>> C :: 175.042 CA :: 53.319(D) CB :: 40.150 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.503 HA :: 4.707(D) HB2 :: 2.724(D) HB3 :: 2.733(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.550 Ave N Shift Values>> N :: 120.65(3.86) 1.F28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> F 0.98 G 0.01 C Shift Assignments>> C :: 174.677 CA :: 59.352(D) CB :: 41.861(D) CD1 :: 132.272(D) CD2 :: 132.272(D) CE1 :: 130.757(D) CE2 :: 130.757(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.661 HA :: 4.467(D) HB2 :: 3.175(D) HB3 :: 2.878(D) HD1 :: 7.217(D) HD2 :: 7.217(D) HE1 :: 6.656(D) HE2 :: 6.656(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.327 Ave N Shift Values>> N :: 120.45(4.18) 1.T29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.339 CA :: 60.385(D) CB :: 71.742(D) CG2 :: 21.004(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.543 HA :: 4.948(D) HB :: 4.538(D) HG21 :: 1.202(D) HG22 :: 1.202(D) HG23 :: 1.202(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.754 Ave N Shift Values>> N :: 115.42(4.75) 1.T30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.572 CA :: 64.538(D) CB :: 68.500(D) CG2 :: 23.708(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.394 HA :: 3.939(D) HB :: 4.374(D) HG21 :: 1.376(D) HG22 :: 1.376(D) HG23 :: 1.376(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.499 Ave N Shift Values>> N :: 115.42(4.75) 1.T31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.449 CA :: 60.532(D) CB :: 69.252(D) CG2 :: 21.369(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.329 HA :: 4.463(D) HB :: 4.397(D) HG21 :: 1.034(D) HG22 :: 1.034(D) HG23 :: 1.034(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 105.280 Ave N Shift Values>> N :: 115.42(4.75) 1.D32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.3 D 0.28 K 0.18 F 0.08 R 0.08 N 0.05 C Shift Assignments>> C :: 175.480 CA :: 54.444(D) CB :: 41.941(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 6.517 HA :: 4.367(D) HB2 :: 1.282(S) HB3 :: 1.795(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.110 Ave N Shift Values>> N :: 120.65(3.86) 1.S33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.519 CA :: 56.778(D) CB :: 63.974(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.447 HA :: 4.662(D) HB2 :: 3.846(D) HB3 :: 4.003(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.439 Ave N Shift Values>> N :: 116.28(3.52) 1.F34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 178.513 CA :: 60.253(D) CB :: 39.022(D) CD1 :: 131.234 CD2 :: 131.651 CE1 :: 128.458 CE2 :: 130.237 CZ :: 129.724 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.018 HA :: 4.288(D) HB2 :: 2.408(D) HB3 :: 2.655(D) HD1 :: 5.923(S) HD2 :: 7.024 HE1 :: 6.538 HE2 :: 6.648 HZ :: 7.202 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.033 Ave N Shift Values>> N :: 120.45(4.18) 1.L35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.91 R 0.07 HN Overlap>> 1.L51 1.L51 C Shift Assignments>> C :: 178.751 CA :: 56.636(D) CB :: 41.915 CG :: 27.524(D) CD1 :: 24.087(D) CD2 :: 24.948(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.530 HA :: 4.356(D) HB2 :: 1.701 HB3 :: 1.701(D) HG :: 1.698(D) HD11 :: 0.800(D) HD12 :: 0.800(D) HD13 :: 0.800(D) HD21 :: 0.939(D) HD22 :: 0.939(D) HD23 :: 0.939(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.825 Ave N Shift Values>> N :: 121.86(3.9) 1.G36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> CA :: 45.964(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.061 HA2 :: 3.987(D) HA3 :: 4.093(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.863 Ave N Shift Values>> N :: 109.67(3.87) 1.H37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> H 0.5 W 0.49 C Shift Assignments>> C :: 175.754 CA :: 56.681(D) CB :: 30.580(D) CD2 :: 120.390(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.821(D) HB2 :: 3.673(D) HB3 :: 3.385(D) HD2 :: 7.337(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.G38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 174.940 CA :: 45.741(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.357 HA2 :: 4.203(D) HA3 :: 3.967(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.857 Ave N Shift Values>> N :: 109.67(3.87) 1.G39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 173.163 CA :: 45.776(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.171 HA2 :: 3.943(D) HA3 :: 4.235(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.337 Ave N Shift Values>> N :: 109.67(3.87) 1.N40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> N 0.6 D 0.25 L 0.06 F 0.06 C Shift Assignments>> C :: 175.845 CA :: 52.449(D) CB :: 39.265(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.398 HA :: 4.657(D) HB2 :: 2.747(D) HB3 :: 2.464(D) HD21 :: 7.450 HD22 :: 6.618 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.857 ND2 :: 111.680 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.99 HN Overlap>> 1.A88 1.A88 C Shift Assignments>> C :: 179.525 CA :: 57.758(D) CB :: 41.142(D) CG :: 27.092(D) CD1 :: 24.123(D) CD2 :: 24.142(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.146 HA :: 4.168(D) HB2 :: 1.606(D) HB3 :: 1.487(D) HG :: 1.610(D) HD11 :: 0.873(D) HD12 :: 0.873(D) HD13 :: 0.873(D) HD21 :: 0.900(D) HD22 :: 0.900(D) HD23 :: 0.900(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.822 Ave N Shift Values>> N :: 121.86(3.9) 1.H43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> H 0.69 W 0.3 C Shift Assignments>> C :: 178.299 CA :: 57.593(D) CB :: 31.303(D) CD2 :: 117.258(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.766(D) HA :: 4.445(D) HB2 :: 3.180(D) HB3 :: 2.965(D) HD2 :: 6.722(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.531 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.534 CA :: 59.672(D) CB :: 37.758(D) CD1 :: 130.353(D) CD2 :: 130.353(D) CE1 :: 131.416(D) CE2 :: 131.416(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.823(D) HA :: 4.409(D) HB2 :: 2.986(D) HB3 :: 3.361(D) HD1 :: 6.965(D) HD2 :: 6.965(D) HE1 :: 7.092(D) HE2 :: 7.092(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.186 Ave N Shift Values>> N :: 120.45(4.18) 1.V45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.287 CA :: 65.707(D) CB :: 32.131(D) CG1 :: 20.914(D) CG2 :: 22.694(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.670 HA :: 3.855(D) HB :: 2.344(D) HG11 :: 1.060(D) HG12 :: 1.060(D) HG13 :: 1.060(D) HG21 :: 1.228(D) HG22 :: 1.228(D) HG23 :: 1.228(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.594 Ave N Shift Values>> N :: 121.14(4.54) 1.Q46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Q 0.33 K 0.32 E 0.22 I 0.05 R 0.03 M 0.02 C Shift Assignments>> C :: 178.832 CA :: 58.803(D) CB :: 29.015(D) CG :: 34.519(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.984 HA :: 4.157(D) HB2 :: 2.057(D) HB3 :: 2.317(D) HG2 :: 2.449(D) HG3 :: 2.619(D) HE21 :: 6.876 HE22 :: 7.300 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.950 NE2 :: 110.229 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.91 R 0.07 C Shift Assignments>> C :: 177.398 CA :: 58.488(D) CB :: 41.792(D) CG :: 26.908(D) CD1 :: 25.734(D) CD2 :: 23.415(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.552 HA :: 3.970(D) HB2 :: 2.038(D) HB3 :: 1.681(D) HG :: 1.382(D) HD11 :: 0.332(D) HD12 :: 0.332(D) HD13 :: 0.332(D) HD21 :: 0.992(D) HD22 :: 0.992(D) HD23 :: 0.992(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.491 Ave N Shift Values>> N :: 121.86(3.9) 1.A48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.75 A 0.14 I 0.09 C Shift Assignments>> C :: 178.515 CA :: 56.204(D) CB :: 17.309(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.138 HA :: 3.695(D) HB1 :: 1.374(D) HB2 :: 1.374(D) HB3 :: 1.374(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.588 Ave N Shift Values>> N :: 123.23(3.54) 1.S49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.616 CA :: 61.405(D) CB :: 63.127(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.869 HA :: 4.286(D) HB2 :: 4.017(D) HB3 :: 4.037(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.210 Ave N Shift Values>> N :: 116.28(3.52) 1.R50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> R 0.73 K 0.19 G 0.05 L 0.01 HN Overlap>> 1.E58 1.E58 C Shift Assignments>> C :: 177.874 CA :: 59.090(D) CB :: 29.890(D) CG :: 26.754(D) CD :: 42.845(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.353 HA :: 4.145(D) HB2 :: 2.123(D) HB3 :: 1.916(D) HG2 :: 1.749(D) HG3 :: 1.749(D) HD2 :: 3.168(D) HD3 :: 3.288(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.635 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.81 R 0.16 K 0.01 HN Overlap>> 1.L35 1.L35 C Shift Assignments>> C :: 178.832 CA :: 57.976(D) CB :: 41.135(D) CG :: 26.567(D) CD1 :: 27.036(D) CD2 :: 27.021(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.530 HA :: 4.078(D) HB2 :: 1.501(D) HB3 :: 2.119(D) HG :: 2.315(D) HD11 :: 0.953(D) HD12 :: 0.953(D) HD13 :: 0.953(D) HD21 :: 0.955(D) HD22 :: 0.955(D) HD23 :: 0.955(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.828 Ave N Shift Values>> N :: 121.86(3.9) 1.Q52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> K 0.4 Q 0.35 R 0.09 E 0.06 I 0.03 M 0.03 HN Overlap>> 1.N86 1.N86 C Shift Assignments>> C :: 179.828 CA :: 59.418(D) CB :: 28.659(D) CG :: 33.559(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.428 HA :: 4.666(D) HB2 :: 2.284(D) HB3 :: 2.497(D) HG2 :: 2.748(D) HG3 :: 2.414(D) HE21 :: 6.742 HE22 :: 7.402 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.408 NE2 :: 110.132 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> K 0.76 R 0.21 G 0.01 C Shift Assignments>> C :: 178.625 CA :: 58.919(D) CB :: 32.366(D) CG :: 25.042(D) CD :: 28.992(D) CE :: 42.190(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.684 HA :: 4.105(D) HB2 :: 2.016(D) HB3 :: 2.016(D) HG2 :: 1.517(D) HG3 :: 1.536(D) HD2 :: 1.715(D) HD3 :: 1.715(D) HE2 :: 2.985(D) HE3 :: 2.986(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.346 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 65.119(D) CB :: 39.556(D) CG1 :: 28.410(D) CG2 :: 16.569(D) CD1 :: 13.939(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.208 HA :: 3.603(D) HB :: 1.212(D) HG12 :: 1.675(D) HG13 :: 0.818(D) HG21 :: 0.046(D) HG22 :: 0.046(D) HG23 :: 0.046(D) HD11 :: 0.609(D) HD12 :: 0.609(D) HD13 :: 0.609(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.128 Ave N Shift Values>> N :: 121.46(4.28) 1.F55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> F 0.99 C Shift Assignments>> C :: 177.199 CA :: 58.957(D) CB :: 40.599(D) CD1 :: 132.181(D) CD2 :: 132.181(D) CE1 :: 131.438(D) CE2 :: 131.438(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> HA :: 4.757(D) HB2 :: 2.899(D) HB3 :: 3.153(D) HD1 :: 7.450(D) HD2 :: 7.450(D) HE1 :: 7.223(D) HE2 :: 7.223(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) 1.G56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 173.842 CA :: 47.051(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.262 HA2 :: 4.000(D) HA3 :: 4.000(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.397 Ave N Shift Values>> N :: 109.67(3.87) 1.V57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.87 A 0.12 C Shift Assignments>> C :: 173.678 CA :: 58.263(D) CB :: 34.672(D) CG1 :: 21.465(D) CG2 :: 19.075(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.833 HA :: 4.488(D) HB :: 1.955(D) HG11 :: 0.771(D) HG12 :: 0.771(D) HG13 :: 0.771(D) HG21 :: 0.669(D) HG22 :: 0.669(D) HG23 :: 0.669(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 111.467 Ave N Shift Values>> N :: 121.14(4.54) 1.E58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> E 0.65 I 0.13 K 0.11 Q 0.04 M 0.04 HN Overlap>> 1.R50 1.R50 C Shift Assignments>> C :: 176.391 CA :: 57.314(D) CB :: 29.474(D) CG :: 36.682(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.269 HA :: 4.113(D) HB2 :: 1.960(D) HB3 :: 1.948(D) HG2 :: 2.235(D) HG3 :: 2.261(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.660 Ave N Shift Values>> N :: 120.67(3.48) 1.V59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.840 CA :: 61.888(D) CB :: 34.299(D) CG1 :: 21.829(D) CG2 :: 21.135(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.997 HA :: 4.560(D) HB :: 2.337(D) HG11 :: 1.006(D) HG12 :: 1.006(D) HG13 :: 1.006(D) HG21 :: 0.978(D) HG22 :: 0.978(D) HG23 :: 0.978(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.279 Ave N Shift Values>> N :: 121.14(4.54) 1.S60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.6 T 0.39 HN Overlap>> 1.V70 1.V70 C Shift Assignments>> C :: 176.398 CA :: 56.138(D) CB :: 67.239(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.935 HA :: 5.041(D) HB2 :: 4.338(D) HB3 :: 3.981(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.676 Ave N Shift Values>> N :: 116.28(3.52) 1.T61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.457 CA :: 66.915(D) CB :: 67.893(D) CG2 :: 23.499(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.818 HA :: 3.601(D) HB :: 4.123(D) HG21 :: 1.277(D) HG22 :: 1.277(D) HG23 :: 1.277(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.140 Ave N Shift Values>> N :: 115.42(4.75) 1.E62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> I 0.51 E 0.41 K 0.05 Q 0.01 C Shift Assignments>> C :: 178.668 CA :: 60.024(D) CB :: 29.079 CG :: 36.877(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.254 HA :: 4.008(D) HB2 :: 1.999(D) HB3 :: 1.913(D) HG2 :: 2.284(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.653 Ave N Shift Values>> N :: 120.67(3.48) 1.D63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> F 0.31 K 0.26 L 0.19 D 0.12 I 0.05 R 0.03 N 0.01 C Shift Assignments>> C :: 177.984 CA :: 57.735(D) CB :: 41.236(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.674 HA :: 4.145(D) HB2 :: 2.966(D) HB3 :: 1.818(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.178 Ave N Shift Values>> N :: 120.65(3.86) 1.V64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.254 CA :: 66.138(D) CB :: 30.938(D) CG1 :: 21.719(D) CG2 :: 21.719(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.295(D) HA :: 3.333(D) HB :: 1.905(D) HG11 :: 0.014(D) HG12 :: 0.014(D) HG13 :: 0.014(D) HG21 :: 0.771(D) HG22 :: 0.771(D) HG23 :: 0.771(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.430 Ave N Shift Values>> N :: 121.14(4.54) 1.F65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 178.319 CA :: 60.441(D) CB :: 38.987(D) CD1 :: 131.584(D) CD2 :: 131.584(D) CE1 :: 131.521(D) CE2 :: 131.521(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.370(D) HA :: 4.156(D) HB2 :: 3.034(D) HB3 :: 3.054(D) HD1 :: 7.114(D) HD2 :: 7.114(D) HE1 :: 7.157(D) HE2 :: 7.157(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.911 Ave N Shift Values>> N :: 120.45(4.18) 1.R66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> R 0.7 K 0.21 G 0.07 C Shift Assignments>> C :: 176.143 CA :: 58.221(D) CB :: 30.951(D) CG :: 27.869(D) CD :: 43.187(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.885 HA :: 3.888(D) HB2 :: 1.310(D) HB3 :: 1.602(D) HG2 :: 1.182(D) HG3 :: 1.424(D) HD2 :: 3.054(D) HD3 :: 3.031(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.928 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.H67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> H 0.53 W 0.46 C Shift Assignments>> C :: 175.791 CA :: 55.018(D) CB :: 28.294(D) CD2 :: 121.728(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.587 HA :: 4.689(D) HB2 :: 2.566(D) HB3 :: 3.019(D) HD2 :: 6.622(D) HE1 :: 7.765(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.027 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> P 0.76 A 0.12 N 0.05 D 0.01 C Shift Assignments>> C :: 174.912 CA :: 49.428(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.261 HA2 :: 3.733(D) HA3 :: 4.364(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.923 Ave N Shift Values>> N :: 109.67(3.87) 1.T69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.85 A 0.14 C Shift Assignments>> C :: 173.958 CA :: 58.353(D) CB :: 73.332(D) CG2 :: 21.537(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.717 HA :: 3.833(D) HB :: 4.171(D) HG21 :: 0.837(D) HG22 :: 0.837(D) HG23 :: 0.837(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.000 Ave N Shift Values>> N :: 115.42(4.75) 1.V70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.S60 1.S60 C Shift Assignments>> C :: 177.348 CA :: 67.566(D) CB :: 30.690(D) CG1 :: 23.617(D) CG2 :: 22.749(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.980 HA :: 3.579(D) HB :: 2.278(D) HG11 :: 1.315(D) HG12 :: 1.315(D) HG13 :: 1.315(D) HG21 :: 1.108(D) HG22 :: 1.108(D) HG23 :: 1.108(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.578 Ave N Shift Values>> N :: 121.14(4.54) 1.E71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> E 0.59 I 0.21 K 0.07 M 0.06 Q 0.05 HN Overlap>> 1.Q17 1.Q17 C Shift Assignments>> C :: 179.443 CA :: 59.958(D) CB :: 30.269(D) CG :: 36.093(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.366 HA :: 3.932(D) HB2 :: 1.991(D) HB3 :: 1.933(D) HG2 :: 2.343(D) HG3 :: 2.080(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.468 Ave N Shift Values>> N :: 120.67(3.48) 1.Q72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> E 0.33 Q 0.28 K 0.25 M 0.06 I 0.05 C Shift Assignments>> C :: 178.852 CA :: 58.735(D) CB :: 29.630(D) CG :: 34.864(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.775 HA :: 4.091(D) HB2 :: 1.941(D) HB3 :: 2.338(D) HG2 :: 2.478(D) HG3 :: 2.479(D) HE21 :: 7.528 HE22 :: 6.909 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.351 NE2 :: 112.178 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> R 0.5 L 0.41 K 0.05 A 0.01 C Shift Assignments>> C :: 178.499 CA :: 57.757(D) CB :: 41.644(D) CG :: 27.253(D) CD1 :: 28.257(D) CD2 :: 22.886(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.177 HA :: 4.219(D) HB2 :: 1.977(D) HB3 :: 2.344(D) HG :: 1.686(D) HD11 :: 0.875(D) HD12 :: 0.875(D) HD13 :: 0.875(D) HD21 :: 0.960(D) HD22 :: 0.960(D) HD23 :: 0.960(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.616 Ave N Shift Values>> N :: 121.86(3.9) 1.A74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.05 C Shift Assignments>> C :: 178.845 CA :: 55.569(D) CB :: 18.526(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.112 HA :: 3.794(D) HB1 :: 1.409(D) HB2 :: 1.409(D) HB3 :: 1.409(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.308 Ave N Shift Values>> N :: 123.23(3.54) 1.R75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> R 0.79 G 0.15 K 0.04 C Shift Assignments>> C :: 177.927 CA :: 59.190(D) CB :: 29.830(D) CG :: 27.210(D) CD :: 43.470(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.284(D) HA :: 4.089(D) HB2 :: 1.952(D) HB3 :: 1.953(D) HG2 :: 1.757(D) HG3 :: 1.713(D) HD2 :: 3.251(D) HD3 :: 3.250(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.125 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.R81 1.R81 C Shift Assignments>> C :: 178.421 CA :: 60.869(D) CB :: 37.963(D) CD1 :: 131.189(D) CD2 :: 131.189(D) CE1 :: 131.280(D) CE2 :: 131.280(D) CZ :: 131.534(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.754 HA :: 4.138(D) HB2 :: 2.324(D) HB3 :: 3.047(D) HD1 :: 6.896(D) HD2 :: 6.896(D) HE1 :: 7.307(D) HE2 :: 7.307(D) HZ :: 7.364(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.628 Ave N Shift Values>> N :: 120.45(4.18) 1.V77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.139(D) CB :: 30.863(D) CG1 :: 21.972(D) CG2 :: 20.385(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.183 HA :: 2.912(D) HB :: 1.832(D) HG11 :: 0.771(D) HG12 :: 0.771(D) HG13 :: 0.771(D) HG21 :: 0.062(D) HG22 :: 0.062(D) HG23 :: 0.062(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.830 Ave N Shift Values>> N :: 121.14(4.54) 1.E78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> E 0.57 I 0.26 K 0.07 M 0.04 Q 0.03 C Shift Assignments>> CA :: 59.833(D) CB :: 29.969(D) CG :: 36.366(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.956 HA :: 3.639(D) HB2 :: 2.073(D) HB3 :: 2.059(D) HG2 :: 2.178(D) HG3 :: 2.178(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 1.Q79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Q 0.38 K 0.34 E 0.13 R 0.08 I 0.03 M 0.02 C Shift Assignments>> C :: 178.358 CA :: 58.099(D) CB :: 28.410(D) CG :: 34.155(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.251 HA :: 4.062(D) HB2 :: 2.053(D) HB3 :: 2.051(D) HG2 :: 2.498(D) HG3 :: 2.390(D) HE21 :: 6.816 HE22 :: 7.427 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.670 NE2 :: 111.206 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.123 CA :: 60.796(D) CB :: 63.089(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.754 HA :: 4.099(D) HB2 :: 3.568(D) HB3 :: 3.604(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.180 Ave N Shift Values>> N :: 116.28(3.52) 1.R81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> R 0.66 G 0.31 K 0.01 HN Overlap>> 1.F76 1.F76 C Shift Assignments>> C :: 176.557 CA :: 57.561(D) CB :: 30.804(D) CG :: 26.787(D) CD :: 44.191(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.722 HA :: 4.104(D) HB2 :: 1.793(D) HB3 :: 1.824(D) HG2 :: 1.757(D) HG3 :: 1.639(D) HD2 :: 3.156(D) HD3 :: 3.076(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.527 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> D 0.31 L 0.26 F 0.15 K 0.15 N 0.08 R 0.01 C Shift Assignments>> C :: 177.184 CA :: 55.211(D) CB :: 41.104(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.939 HA :: 4.652(D) HB2 :: 2.691(D) HB3 :: 2.791(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.932 Ave N Shift Values>> N :: 120.65(3.86) 1.T83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.750 CA :: 62.968(D) CB :: 69.615(D) CG2 :: 21.669(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.024 HA :: 4.288(D) HB :: 4.330(D) HG21 :: 1.265(D) HG22 :: 1.265(D) HG23 :: 1.265(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.688 Ave N Shift Values>> N :: 115.42(4.75) 1.G84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.9 L 0.08 C Shift Assignments>> C :: 174.207 CA :: 45.709(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.308 HA2 :: 4.005(D) HA3 :: 4.001(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.520 Ave N Shift Values>> N :: 109.67(3.87) 1.R85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> R 0.79 G 0.11 K 0.08 C Shift Assignments>> C :: 175.750 CA :: 56.025(D) CB :: 30.911(D) CG :: 27.124(D) CD :: 43.385(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.914 HA :: 4.343(D) HB2 :: 1.825(D) HB3 :: 1.829(D) HG2 :: 1.625(D) HG3 :: 1.626(D) HD2 :: 3.219(D) HD3 :: 3.219(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.759 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> N 0.73 D 0.17 F 0.04 L 0.03 HN Overlap>> 1.Q52 1.Q52 C Shift Assignments>> CA :: 51.263(D) CB :: 38.912(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.392 HA :: 4.990(D) HB2 :: 2.858(D) HB3 :: 2.749(D) HD21 :: 7.655 HD22 :: 6.985 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.466 ND2 :: 112.255 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.830 CA :: 63.660(D) CB :: 32.087(D) CG :: 27.251(D) CD :: 50.778(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.415(D) HB2 :: 1.971(D) HB3 :: 2.311(D) HG2 :: 2.017(D) HG3 :: 2.010(D) HD2 :: 3.806(D) HD3 :: 3.772(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.87 M 0.11 HN Overlap>> 1.L42 1.L42 C Shift Assignments>> C :: 177.588 CA :: 52.462(D) CB :: 19.008(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.190 HA :: 4.319(D) HB1 :: 1.402(D) HB2 :: 1.402(D) HB3 :: 1.402(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.835 Ave N Shift Values>> N :: 123.23(3.54) 1.A89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 177.626 CA :: 52.486(D) CB :: 19.252(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.027 HA :: 4.334(D) HB1 :: 1.418(D) HB2 :: 1.418(D) HB3 :: 1.418(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.592 Ave N Shift Values>> N :: 123.23(3.54) 1.Q90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Q 0.41 K 0.34 M 0.1 E 0.1 R 0.02 HN Overlap>> 1.D21 1.D21 C Shift Assignments>> C :: 176.123 CA :: 55.801(D) CB :: 29.578(D) CG :: 33.876 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.241 HA :: 4.430(D) HB2 :: 2.024 HB3 :: 2.166(D) HG2 :: 2.400(D) HG3 :: 2.400(D) HE21 :: 6.850 HE22 :: 7.538 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.340 NE2 :: 112.254 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.692 CA :: 61.859(D) CB :: 69.925(D) CG2 :: 21.515(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.146 HA :: 4.364(D) HB :: 4.258(D) HG21 :: 1.213(D) HG22 :: 1.213(D) HG23 :: 1.213(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.421 Ave N Shift Values>> N :: 115.42(4.75) 1.Q92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Q 0.36 M 0.21 K 0.2 E 0.2 C Shift Assignments>> CA :: 57.476(D) CB :: 30.384(D) CG :: 34.257(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.998 HA :: 4.200(D) HB2 :: 2.130(D) HB3 :: 1.949(D) HG2 :: 2.314(D) HG3 :: 2.314(D) HE21 :: 6.797 HE22 :: 7.498 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 127.314 NE2 :: 111.967 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) ########################################################################### Overall Results: #Consistent: 2 #Clerical: 85 #Suspicious: 3 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 89 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 91 #Suspicious: 0 C Shift Results: #Consistent: 92 #Duplicate: 282 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 106 #Duplicate: 491 #Unknown: 0 #Suspicious: 4 #Anomalous: 1 N Shift Results: #Consistent: 94 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M3 CA = 55.493(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.8202e-01 1.M3 CB = 33.054(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.7721e-01 1.M3 CG = 32.048(D), Expected = 32.01, Std = 1.2400, ChiSquare = 9.7555e-01 1.M3 HA = 4.469(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.0217e-01 1.M3 HB2 = 2.073(D), Expected = 2.03, Std = 0.3400, ChiSquare = 8.9936e-01 1.M3 HB3 = 2.053(D), Expected = 1.99, Std = 0.3400, ChiSquare = 8.5300e-01 1.M3 HG2 = 2.609(D), Expected = 2.42, Std = 0.3500, ChiSquare = 5.8920e-01 1.M3 HG3 = 2.609(D), Expected = 2.39, Std = 0.3800, ChiSquare = 5.6440e-01 1.A4 CA = 52.682(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.1707e-01 1.A4 CB = 19.313(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.6849e-01 1.A4 HA = 4.375(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.9381e-01 1.A4 HB1 = 1.408(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.2348e-01 1.A4 HB2 = 1.408(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.2348e-01 1.A4 HB3 = 1.408(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.2348e-01 1.T5 CA = 61.726(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.4873e-01 1.T5 CB = 69.837(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.4766e-01 1.T5 CG2 = 21.700(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.9251e-01 1.T5 HA = 4.295(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.3103e-01 1.T5 HB = 4.214(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.9393e-01 1.T5 HG21 = 1.210(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.6086e-01 1.T5 HG22 = 1.210(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.6086e-01 1.T5 HG23 = 1.210(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.6086e-01 1.A6 CB = 19.430(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.1847e-01 1.A6 HB1 = 1.389(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.8076e-01 1.A6 HB2 = 1.389(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.8076e-01 1.A6 HB3 = 1.389(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.8076e-01 1.V7 CA = 62.106(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.9319e-01 1.V7 CB = 32.817(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.6124e-01 1.V7 CG1 = 20.563(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.9548e-01 1.V7 CG2 = 21.295(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.8210e-01 1.V7 HA = 4.106(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.8485e-01 1.V7 HB = 2.068(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.8332e-01 1.V7 HG11 = 0.933(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.9199e-01 1.V7 HG12 = 0.933(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.9199e-01 1.V7 HG13 = 0.933(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.9199e-01 1.V7 HG21 = 0.931(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.3989e-01 1.V7 HG22 = 0.931(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.3989e-01 1.V7 HG23 = 0.931(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.3989e-01 1.Q8 CA = 55.830(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.2950e-01 1.Q8 CB = 29.900(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.9646e-01 1.Q8 CG = 33.991(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.3514e-01 1.Q8 HA = 4.315(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.1854e-01 1.Q8 HB2 = 1.982(D), Expected = 2.05, Std = 0.2500, ChiSquare = 7.8562e-01 1.Q8 HB3 = 2.025(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.8575e-01 1.Q8 HG2 = 2.332(D), Expected = 2.32, Std = 0.2700, ChiSquare = 9.6455e-01 1.Q8 HG3 = 2.332(D), Expected = 2.29, Std = 0.2900, ChiSquare = 8.8485e-01 1.N9 CA = 51.293(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.3200e-01 1.N9 CB = 38.965(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.7074e-01 1.N9 HA = 4.990(D), Expected = 4.67, Std = 0.3600, ChiSquare = 3.7406e-01 1.N9 HB2 = 2.858(D), Expected = 2.81, Std = 0.3100, ChiSquare = 8.7695e-01 1.N9 HB3 = 2.749(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.9758e-01 1.P10 CA = 63.131(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.9584e-01 1.P10 CB = 32.267(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.2380e-01 1.P10 CG = 27.057(D), Expected = 27.17, Std = 1.0900, ChiSquare = 9.1743e-01 1.P10 CD = 49.682(D), Expected = 50.32, Std = 0.9900, ChiSquare = 5.1929e-01 1.P10 HA = 4.469(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.3438e-01 1.P10 HB2 = 1.953(D), Expected = 2.08, Std = 0.3500, ChiSquare = 7.1671e-01 1.P10 HB3 = 2.311(D), Expected = 2.00, Std = 0.3600, ChiSquare = 3.8765e-01 1.P10 HG2 = 2.019(D), Expected = 1.93, Std = 0.3100, ChiSquare = 7.7404e-01 1.P10 HG3 = 2.020(D), Expected = 1.90, Std = 0.3300, ChiSquare = 7.1613e-01 1.P10 HD2 = 3.585(D), Expected = 3.65, Std = 0.3500, ChiSquare = 8.5267e-01 1.P10 HD3 = 3.581(D), Expected = 3.61, Std = 0.3900, ChiSquare = 9.4073e-01 1.L11 CA = 58.985(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.1415e-01 1.L11 CB = 41.648(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.2474e-01 1.L11 CG = 28.802(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.6036e-02 1.L11 CD1 = 25.334(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.9938e-01 1.L11 CD2 = 24.736(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.8656e-01 1.L11 HA = 4.200(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.9848e-01 1.L11 HB2 = 1.804(D), Expected = 1.61, Std = 0.3400, ChiSquare = 5.6828e-01 1.L11 HB3 = 1.443(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.3063e-01 1.L11 HG = 1.682(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.0222e-01 1.L11 HD11 = 0.763(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.6297e-01 1.L11 HD12 = 0.763(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.6297e-01 1.L11 HD13 = 0.763(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.6297e-01 1.L11 HD21 = 0.697(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.0940e-01 1.L11 HD22 = 0.697(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.0940e-01 1.L11 HD23 = 0.697(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.0940e-01 1.E12 CA = 60.151(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.7556e-01 1.E12 CB = 29.904(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.5086e-01 1.E12 CG = 37.749(D), Expected = 36.11, Std = 1.1900, ChiSquare = 1.6842e-01 1.E12 HA = 3.614(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.2085e-01 1.E12 HB2 = 1.944(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.1742e-01 1.E12 HB3 = 2.244(D), Expected = 1.99, Std = 0.2300, ChiSquare = 2.6944e-01 1.E12 HG2 = 2.046(D), Expected = 2.27, Std = 0.2100, ChiSquare = 2.8612e-01 1.E12 HG3 = 2.298(D), Expected = 2.25, Std = 0.2200, ChiSquare = 8.2729e-01 1.T13 CA = 66.857(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.3398e-02 1.T13 CB = 68.616(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.9433e-01 1.T13 HA = 3.895(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.3916e-01 1.T13 HB = 4.280(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.3888e-01 1.T13 HG21 = 1.287(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.2274e-01 1.T13 HG22 = 1.287(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.2274e-01 1.T13 HG23 = 1.287(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.2274e-01 1.V14 CA = 66.397(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.7191e-01 1.V14 CB = 32.250(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.8858e-01 1.V14 CG1 = 22.064(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.7298e-01 1.V14 CG2 = 22.913(D), Expected = 21.26, Std = 1.5600, ChiSquare = 2.8932e-01 1.V14 H = 7.446(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.0778e-01 1.V14 HA = 3.804(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.0572e-01 1.V14 HB = 2.390(D), Expected = 1.98, Std = 0.3200, ChiSquare = 2.0011e-01 1.V14 HG11 = 0.960(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.1707e-01 1.V14 HG12 = 0.960(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.1707e-01 1.V14 HG13 = 0.960(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.1707e-01 1.V14 HG21 = 1.188(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.6583e-01 1.V14 HG22 = 1.188(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.6583e-01 1.V14 HG23 = 1.188(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.6583e-01 1.V15 CA = 67.336(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.0188e-02 1.V15 CB = 31.328(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.3349e-01 1.V15 CG1 = 23.396(D), Expected = 21.49, Std = 1.3600, ChiSquare = 1.6107e-01 1.V15 CG2 = 22.676(D), Expected = 21.26, Std = 1.5600, ChiSquare = 3.6404e-01 1.V15 HA = 3.648(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.5006e-01 1.V15 HB = 2.364(D), Expected = 1.98, Std = 0.3200, ChiSquare = 2.3014e-01 1.V15 HG11 = 1.267(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.2808e-02 1.V15 HG12 = 1.267(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.2808e-02 1.V15 HG13 = 1.267(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.2808e-02 1.V15 HG21 = 1.237(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.1859e-01 1.V15 HG22 = 1.237(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.1859e-01 1.V15 HG23 = 1.237(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.1859e-01 1.L16 CA = 58.747(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.4208e-01 1.L16 CB = 42.523(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.0979e-01 1.L16 CG = 27.282(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.4813e-01 1.L16 CD1 = 25.916(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.5193e-01 1.L16 CD2 = 24.449(D), Expected = 24.05, Std = 1.7000, ChiSquare = 8.1444e-01 1.L16 HA = 4.218(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.2819e-01 1.L16 HB2 = 2.191(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.7484e-02 1.L16 HB3 = 1.692(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.3281e-01 1.L16 HG = 1.691(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.8336e-01 1.L16 HD11 = 1.096(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.1656e-01 1.L16 HD12 = 1.096(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.1656e-01 1.L16 HD13 = 1.096(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.1656e-01 1.L16 HD21 = 1.126(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.7209e-01 1.L16 HD22 = 1.126(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.7209e-01 1.L16 HD23 = 1.126(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.7209e-01 1.Q17 CA = 58.832(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.9051e-01 1.Q17 CB = 28.142(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.6473e-01 1.Q17 CG = 33.995(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.3233e-01 1.Q17 HA = 3.888(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.8530e-01 1.Q17 HB2 = 2.285(D), Expected = 2.05, Std = 0.2500, ChiSquare = 3.4722e-01 1.Q17 HB3 = 2.161(D), Expected = 2.02, Std = 0.2800, ChiSquare = 6.1456e-01 1.Q17 HG2 = 2.464(D), Expected = 2.32, Std = 0.2700, ChiSquare = 5.9380e-01 1.Q17 HG3 = 2.491(D), Expected = 2.29, Std = 0.2900, ChiSquare = 4.8824e-01 1.A18 CA = 55.081(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.2694e-01 1.A18 CB = 17.362(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.6783e-01 1.A18 HA = 4.214(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.1674e-01 1.A18 HB1 = 1.429(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.6124e-01 1.A18 HB2 = 1.429(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.6124e-01 1.A18 HB3 = 1.429(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.6124e-01 1.W19 CA = 59.315(D), Expected = 57.66, Std = 2.5800, ChiSquare = 5.2122e-01 1.W19 CB = 29.618(D), Expected = 30.01, Std = 2.0100, ChiSquare = 8.4537e-01 1.W19 CD1 = 126.149(D), Expected = 126.51, Std = 1.8300, ChiSquare = 8.4362e-01 1.W19 CE3 = 121.555(D), Expected = 120.43, Std = 1.7900, ChiSquare = 5.2968e-01 1.W19 CZ2 = 114.419(D), Expected = 114.26, Std = 1.1200, ChiSquare = 8.8711e-01 1.W19 CZ3 = 120.336(D), Expected = 121.35, Std = 1.5300, ChiSquare = 5.0749e-01 1.W19 CH2 = 124.807(D), Expected = 123.86, Std = 1.4200, ChiSquare = 5.0484e-01 1.W19 HA = 4.499(D), Expected = 4.68, Std = 0.5300, ChiSquare = 7.3272e-01 1.W19 HB2 = 3.207(D), Expected = 3.19, Std = 0.3500, ChiSquare = 9.6126e-01 1.W19 HB3 = 3.248(D), Expected = 3.12, Std = 0.3600, ChiSquare = 7.2217e-01 1.W19 HD1 = 5.753(S), Expected = 7.14, Std = 0.3600, ChiSquare = 1.1679e-04 1.W19 HE3 = 7.150(D), Expected = 7.31, Std = 0.4100, ChiSquare = 6.9636e-01 1.W19 HZ2 = 7.314(D), Expected = 7.28, Std = 0.3300, ChiSquare = 9.1794e-01 1.W19 HZ3 = 6.505(D), Expected = 6.86, Std = 0.4000, ChiSquare = 3.7481e-01 1.W19 HH2 = 7.007(D), Expected = 6.98, Std = 0.3900, ChiSquare = 9.4481e-01 1.K20 CA = 61.436(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.1441e-02 1.K20 CB = 32.356(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.0737e-01 1.K20 CG = 25.931(D), Expected = 24.89, Std = 1.1300, ChiSquare = 3.5693e-01 1.K20 CD = 30.109(D), Expected = 28.96, Std = 1.0800, ChiSquare = 2.8738e-01 1.K20 CE = 43.172(D), Expected = 41.89, Std = 0.8200, ChiSquare = 1.1795e-01 1.K20 HA = 3.410(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.0637e-02 1.K20 HB2 = 1.851(D), Expected = 1.78, Std = 0.2500, ChiSquare = 7.7641e-01 1.K20 HB3 = 1.840(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.1111e-01 1.K20 HG2 = 1.452(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.5247e-01 1.K20 HG3 = 1.803(D), Expected = 1.35, Std = 0.2800, ChiSquare = 1.0569e-01 1.K20 HD2 = 1.754(D), Expected = 1.61, Std = 0.2200, ChiSquare = 5.1276e-01 1.K20 HD3 = 1.754(D), Expected = 1.60, Std = 0.2200, ChiSquare = 4.8393e-01 1.K20 HE2 = 2.981(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.4817e-01 1.K20 HE3 = 3.109(D), Expected = 2.91, Std = 0.2000, ChiSquare = 3.1974e-01 1.D21 CA = 57.201(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.1611e-01 1.D21 CB = 41.207(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.4003e-01 1.D21 HA = 4.200(D), Expected = 4.59, Std = 0.3200, ChiSquare = 2.2294e-01 1.D21 HB2 = 2.651(D), Expected = 2.72, Std = 0.2600, ChiSquare = 7.9071e-01 1.D21 HB3 = 2.832(D), Expected = 2.66, Std = 0.2800, ChiSquare = 5.3903e-01 1.I22 CA = 63.784(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.1725e-01 1.I22 CB = 39.741(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.8232e-01 1.I22 CG1 = 29.425(D), Expected = 27.71, Std = 1.6800, ChiSquare = 3.0733e-01 1.I22 CG2 = 17.161(D), Expected = 17.53, Std = 1.3600, ChiSquare = 7.8614e-01 1.I22 CD1 = 13.879(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.8804e-01 1.I22 HA = 3.466(D), Expected = 4.18, Std = 0.5600, ChiSquare = 2.0231e-01 1.I22 HB = 1.371(D), Expected = 1.78, Std = 0.2900, ChiSquare = 1.5844e-01 1.I22 HG12 = 1.715(D), Expected = 1.28, Std = 0.4000, ChiSquare = 2.7682e-01 1.I22 HG13 = 0.942(D), Expected = 1.19, Std = 0.4100, ChiSquare = 5.4526e-01 1.I22 HG21 = 0.613(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.6092e-01 1.I22 HG22 = 0.613(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.6092e-01 1.I22 HG23 = 0.613(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.6092e-01 1.I22 HD11 = 0.738(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.4148e-01 1.I22 HD12 = 0.738(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.4148e-01 1.I22 HD13 = 0.738(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.4148e-01 1.S23 CA = 59.225(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.0726e-01 1.S23 CB = 65.189(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.4798e-01 1.S23 HA = 3.026(S), Expected = 4.48, Std = 0.4000, ChiSquare = 2.7798e-04 1.S23 HB2 = 1.443(A), Expected = 3.88, Std = 0.2500, ChiSquare = 1.8814e-22 1.S23 HB3 = 3.028(D), Expected = 3.85, Std = 0.2700, ChiSquare = 2.3311e-03 1.G24 CA = 45.756(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.6190e-01 1.G24 HA2 = 3.724(D), Expected = 3.97, Std = 0.3700, ChiSquare = 5.0614e-01 1.G24 HA3 = 3.999(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.8903e-01 1.A25 CA = 51.829(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.0789e-01 1.A25 CB = 18.403(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.4012e-01 1.A25 H = 7.368(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.6554e-01 1.A25 HA = 4.377(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.9031e-01 1.A25 HB1 = 1.185(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.2568e-01 1.A25 HB2 = 1.185(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.2568e-01 1.A25 HB3 = 1.185(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.2568e-01 1.D26 CA = 55.910(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.4785e-01 1.D26 CB = 42.053(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.6902e-01 1.D26 HA = 4.516(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.1712e-01 1.D26 HB2 = 2.664(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.2947e-01 1.D26 HB3 = 2.659(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.9715e-01 1.D27 CA = 53.319(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.9944e-01 1.D27 HA = 4.707(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.1464e-01 1.D27 HB2 = 2.724(D), Expected = 2.72, Std = 0.2600, ChiSquare = 9.8773e-01 1.D27 HB3 = 2.733(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.9431e-01 1.F28 CA = 59.352(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.2064e-01 1.F28 CB = 41.861(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.7067e-01 1.F28 CD1 = 132.272(D), Expected = 131.58, Std = 1.1800, ChiSquare = 5.5758e-01 1.F28 CD2 = 132.272(D), Expected = 131.63, Std = 1.1200, ChiSquare = 5.6650e-01 1.F28 CE1 = 130.757(D), Expected = 130.71, Std = 1.3000, ChiSquare = 9.7116e-01 1.F28 CE2 = 130.757(D), Expected = 130.76, Std = 1.1300, ChiSquare = 9.9788e-01 1.F28 HA = 4.467(D), Expected = 4.63, Std = 0.5700, ChiSquare = 7.7490e-01 1.F28 HB2 = 3.175(D), Expected = 3.00, Std = 0.3700, ChiSquare = 6.3623e-01 1.F28 HB3 = 2.878(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.9657e-01 1.F28 HD1 = 7.217(D), Expected = 7.06, Std = 0.3100, ChiSquare = 6.1254e-01 1.F28 HD2 = 7.217(D), Expected = 7.06, Std = 0.3100, ChiSquare = 6.1254e-01 1.F28 HE1 = 6.656(D), Expected = 7.08, Std = 0.3100, ChiSquare = 1.7139e-01 1.F28 HE2 = 6.656(D), Expected = 7.08, Std = 0.3200, ChiSquare = 1.8517e-01 1.T29 CA = 60.385(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.7864e-01 1.T29 CB = 71.742(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.1707e-01 1.T29 CG2 = 21.004(D), Expected = 21.55, Std = 1.1100, ChiSquare = 6.2280e-01 1.T29 HA = 4.948(D), Expected = 4.46, Std = 0.4800, ChiSquare = 3.0931e-01 1.T29 HB = 4.538(D), Expected = 4.17, Std = 0.3300, ChiSquare = 2.6479e-01 1.T29 HG21 = 1.202(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.8749e-01 1.T29 HG22 = 1.202(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.8749e-01 1.T29 HG23 = 1.202(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.8749e-01 1.T30 CA = 64.538(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.7080e-01 1.T30 CB = 68.500(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.5049e-01 1.T30 CG2 = 23.708(D), Expected = 21.55, Std = 1.1100, ChiSquare = 5.1878e-02 1.T30 HA = 3.939(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.7774e-01 1.T30 HB = 4.374(D), Expected = 4.17, Std = 0.3300, ChiSquare = 5.3646e-01 1.T30 HG21 = 1.376(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.0485e-01 1.T30 HG22 = 1.376(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.0485e-01 1.T30 HG23 = 1.376(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.0485e-01 1.T31 CA = 60.532(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.1457e-01 1.T31 CB = 69.252(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.6933e-01 1.T31 CG2 = 21.369(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.7047e-01 1.T31 HA = 4.463(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.9501e-01 1.T31 HB = 4.397(D), Expected = 4.17, Std = 0.3300, ChiSquare = 4.9153e-01 1.T31 HG21 = 1.034(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.4489e-01 1.T31 HG22 = 1.034(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.4489e-01 1.T31 HG23 = 1.034(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.4489e-01 1.D32 CA = 54.444(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.0355e-01 1.D32 CB = 41.941(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.1251e-01 1.D32 HA = 4.367(D), Expected = 4.59, Std = 0.3200, ChiSquare = 4.8588e-01 1.D32 HB2 = 1.282(S), Expected = 2.72, Std = 0.2600, ChiSquare = 3.1883e-08 1.D32 HB3 = 1.795(D), Expected = 2.66, Std = 0.2800, ChiSquare = 2.0064e-03 1.S33 CA = 56.778(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.4816e-01 1.S33 CB = 63.974(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.0641e-01 1.S33 HA = 4.662(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.4911e-01 1.S33 HB2 = 3.846(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.9182e-01 1.S33 HB3 = 4.003(D), Expected = 3.85, Std = 0.2700, ChiSquare = 5.7094e-01 1.F34 CA = 60.253(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.9782e-01 1.F34 CB = 39.022(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.4325e-01 1.F34 HA = 4.288(D), Expected = 4.63, Std = 0.5700, ChiSquare = 5.4851e-01 1.F34 HB2 = 2.408(D), Expected = 3.00, Std = 0.3700, ChiSquare = 1.0960e-01 1.F34 HB3 = 2.655(D), Expected = 2.93, Std = 0.4000, ChiSquare = 4.9177e-01 1.F34 HD1 = 5.923(S), Expected = 7.06, Std = 0.3100, ChiSquare = 2.4470e-04 1.L35 CA = 56.636(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.3337e-01 1.L35 CG = 27.524(D), Expected = 26.78, Std = 1.1000, ChiSquare = 4.9881e-01 1.L35 CD1 = 24.087(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.9055e-01 1.L35 CD2 = 24.948(D), Expected = 24.05, Std = 1.7000, ChiSquare = 5.9734e-01 1.L35 HA = 4.356(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.3895e-01 1.L35 HB3 = 1.701(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.1512e-01 1.L35 HG = 1.698(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.6888e-01 1.L35 HD11 = 0.800(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.5827e-01 1.L35 HD12 = 0.800(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.5827e-01 1.L35 HD13 = 0.800(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.5827e-01 1.L35 HD21 = 0.939(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.7110e-01 1.L35 HD22 = 0.939(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.7110e-01 1.L35 HD23 = 0.939(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.7110e-01 1.G36 CA = 45.964(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.4680e-01 1.G36 HA2 = 3.987(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.6335e-01 1.G36 HA3 = 4.093(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.0193e-01 1.H37 CA = 56.681(D), Expected = 56.52, Std = 2.3100, ChiSquare = 9.4444e-01 1.H37 CB = 30.580(D), Expected = 30.24, Std = 2.0700, ChiSquare = 8.6953e-01 1.H37 CD2 = 120.390(D), Expected = 120.49, Std = 3.4200, ChiSquare = 9.7667e-01 1.H37 HA = 4.821(D), Expected = 4.61, Std = 0.4300, ChiSquare = 6.2364e-01 1.H37 HB2 = 3.673(D), Expected = 3.10, Std = 0.3600, ChiSquare = 1.1146e-01 1.H37 HB3 = 3.385(D), Expected = 3.04, Std = 0.3800, ChiSquare = 3.6393e-01 1.H37 HD2 = 7.337(D), Expected = 7.00, Std = 0.4300, ChiSquare = 4.3320e-01 1.G38 CA = 45.741(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.7045e-01 1.G38 HA2 = 4.203(D), Expected = 3.97, Std = 0.3700, ChiSquare = 5.2887e-01 1.G38 HA3 = 3.967(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.5630e-01 1.G39 CA = 45.776(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.5055e-01 1.G39 HA2 = 3.943(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.4183e-01 1.G39 HA3 = 4.235(D), Expected = 3.90, Std = 0.3700, ChiSquare = 3.6525e-01 1.N40 CA = 52.449(D), Expected = 53.54, Std = 1.8800, ChiSquare = 5.6170e-01 1.N40 CB = 39.265(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.3368e-01 1.N40 HA = 4.657(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.7119e-01 1.N40 HB2 = 2.747(D), Expected = 2.81, Std = 0.3100, ChiSquare = 8.3896e-01 1.N40 HB3 = 2.464(D), Expected = 2.75, Std = 0.3300, ChiSquare = 3.8612e-01 1.L42 CA = 57.758(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1550e-01 1.L42 CB = 41.142(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.3442e-01 1.L42 CG = 27.092(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.7669e-01 1.L42 CD1 = 24.123(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.0731e-01 1.L42 CD2 = 24.142(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.5684e-01 1.L42 HA = 4.168(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.4639e-01 1.L42 HB2 = 1.606(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.9061e-01 1.L42 HB3 = 1.487(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.2696e-01 1.L42 HG = 1.610(D), Expected = 1.51, Std = 0.3300, ChiSquare = 7.6187e-01 1.L42 HD11 = 0.873(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6045e-01 1.L42 HD12 = 0.873(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6045e-01 1.L42 HD13 = 0.873(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6045e-01 1.L42 HD21 = 0.900(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.5774e-01 1.L42 HD22 = 0.900(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.5774e-01 1.L42 HD23 = 0.900(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.5774e-01 1.H43 CA = 57.593(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.4229e-01 1.H43 CB = 31.303(D), Expected = 30.24, Std = 2.0700, ChiSquare = 6.0758e-01 1.H43 CD2 = 117.258(D), Expected = 120.49, Std = 3.4200, ChiSquare = 3.4464e-01 1.H43 H = 7.766(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.8577e-01 1.H43 HA = 4.445(D), Expected = 4.61, Std = 0.4300, ChiSquare = 7.0119e-01 1.H43 HB2 = 3.180(D), Expected = 3.10, Std = 0.3600, ChiSquare = 8.2414e-01 1.H43 HB3 = 2.965(D), Expected = 3.04, Std = 0.3800, ChiSquare = 8.4354e-01 1.H43 HD2 = 6.722(D), Expected = 7.00, Std = 0.4300, ChiSquare = 5.1795e-01 1.F44 CA = 59.672(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.3562e-01 1.F44 CB = 37.758(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.8555e-01 1.F44 CD1 = 130.353(D), Expected = 131.58, Std = 1.1800, ChiSquare = 2.9842e-01 1.F44 CD2 = 130.353(D), Expected = 131.63, Std = 1.1200, ChiSquare = 2.5421e-01 1.F44 CE1 = 131.416(D), Expected = 130.71, Std = 1.3000, ChiSquare = 5.8708e-01 1.F44 CE2 = 131.416(D), Expected = 130.76, Std = 1.1300, ChiSquare = 5.6156e-01 1.F44 H = 7.823(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.5577e-01 1.F44 HA = 4.409(D), Expected = 4.63, Std = 0.5700, ChiSquare = 6.9822e-01 1.F44 HB2 = 2.986(D), Expected = 3.00, Std = 0.3700, ChiSquare = 9.6982e-01 1.F44 HB3 = 3.361(D), Expected = 2.93, Std = 0.4000, ChiSquare = 2.8126e-01 1.F44 HD1 = 6.965(D), Expected = 7.06, Std = 0.3100, ChiSquare = 7.5926e-01 1.F44 HD2 = 6.965(D), Expected = 7.06, Std = 0.3100, ChiSquare = 7.5926e-01 1.F44 HE1 = 7.092(D), Expected = 7.08, Std = 0.3100, ChiSquare = 9.6912e-01 1.F44 HE2 = 7.092(D), Expected = 7.08, Std = 0.3200, ChiSquare = 9.7009e-01 1.V45 CA = 65.707(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.6066e-01 1.V45 CB = 32.131(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.3790e-01 1.V45 CG1 = 20.914(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.7191e-01 1.V45 CG2 = 22.694(D), Expected = 21.26, Std = 1.5600, ChiSquare = 3.5798e-01 1.V45 HA = 3.855(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.6354e-01 1.V45 HB = 2.344(D), Expected = 1.98, Std = 0.3200, ChiSquare = 2.5533e-01 1.V45 HG11 = 1.060(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.7636e-01 1.V45 HG12 = 1.060(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.7636e-01 1.V45 HG13 = 1.060(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.7636e-01 1.V45 HG21 = 1.228(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.2637e-01 1.V45 HG22 = 1.228(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.2637e-01 1.V45 HG23 = 1.228(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.2637e-01 1.Q46 CA = 58.803(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.9674e-01 1.Q46 CB = 29.015(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.2340e-01 1.Q46 CG = 34.519(D), Expected = 33.76, Std = 1.1100, ChiSquare = 4.9411e-01 1.Q46 HA = 4.157(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.9732e-01 1.Q46 HB2 = 2.057(D), Expected = 2.05, Std = 0.2500, ChiSquare = 9.7766e-01 1.Q46 HB3 = 2.317(D), Expected = 2.02, Std = 0.2800, ChiSquare = 2.8882e-01 1.Q46 HG2 = 2.449(D), Expected = 2.32, Std = 0.2700, ChiSquare = 6.3281e-01 1.Q46 HG3 = 2.619(D), Expected = 2.29, Std = 0.2900, ChiSquare = 2.5659e-01 1.L47 CA = 58.488(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.7815e-01 1.L47 CB = 41.792(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.8291e-01 1.L47 CG = 26.908(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.0736e-01 1.L47 CD1 = 25.734(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.2365e-01 1.L47 CD2 = 23.415(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.0875e-01 1.L47 HA = 3.970(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.5646e-01 1.L47 HB2 = 2.038(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.0809e-01 1.L47 HB3 = 1.681(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.5471e-01 1.L47 HG = 1.382(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.9811e-01 1.L47 HD11 = 0.332(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.3547e-01 1.L47 HD12 = 0.332(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.3547e-01 1.L47 HD13 = 0.332(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.3547e-01 1.L47 HD21 = 0.992(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.6629e-01 1.L47 HD22 = 0.992(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.6629e-01 1.L47 HD23 = 0.992(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.6629e-01 1.A48 CA = 56.204(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.2175e-01 1.A48 CB = 17.309(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.5263e-01 1.A48 HA = 3.695(D), Expected = 4.26, Std = 0.4400, ChiSquare = 1.9911e-01 1.A48 HB1 = 1.374(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.2645e-01 1.A48 HB2 = 1.374(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.2645e-01 1.A48 HB3 = 1.374(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.2645e-01 1.S49 CA = 61.405(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.9460e-01 1.S49 CB = 63.127(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.4930e-01 1.S49 HA = 4.286(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.2768e-01 1.S49 HB2 = 4.017(D), Expected = 3.88, Std = 0.2500, ChiSquare = 5.8369e-01 1.S49 HB3 = 4.037(D), Expected = 3.85, Std = 0.2700, ChiSquare = 4.8857e-01 1.R50 CA = 59.090(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.1522e-01 1.R50 CB = 29.890(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.5804e-01 1.R50 CG = 26.754(D), Expected = 27.21, Std = 1.2000, ChiSquare = 7.0395e-01 1.R50 CD = 42.845(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.2038e-01 1.R50 HA = 4.145(D), Expected = 4.30, Std = 0.4600, ChiSquare = 7.3615e-01 1.R50 HB2 = 2.123(D), Expected = 1.79, Std = 0.2700, ChiSquare = 2.1745e-01 1.R50 HB3 = 1.916(D), Expected = 1.76, Std = 0.2800, ChiSquare = 5.7743e-01 1.R50 HG2 = 1.749(D), Expected = 1.57, Std = 0.2700, ChiSquare = 5.0735e-01 1.R50 HG3 = 1.749(D), Expected = 1.54, Std = 0.2900, ChiSquare = 4.7110e-01 1.R50 HD2 = 3.168(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.4148e-01 1.R50 HD3 = 3.288(D), Expected = 3.10, Std = 0.2600, ChiSquare = 4.6963e-01 1.L51 CA = 57.976(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.6868e-01 1.L51 CB = 41.135(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.3197e-01 1.L51 CG = 26.567(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.4646e-01 1.L51 CD1 = 27.036(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.4523e-01 1.L51 CD2 = 27.021(D), Expected = 24.05, Std = 1.7000, ChiSquare = 8.0525e-02 1.L51 HA = 4.078(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.0663e-01 1.L51 HB2 = 1.501(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.4852e-01 1.L51 HB3 = 2.119(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.6135e-02 1.L51 HG = 2.315(D), Expected = 1.51, Std = 0.3300, ChiSquare = 1.4712e-02 1.L51 HD11 = 0.953(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.6845e-01 1.L51 HD12 = 0.953(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.6845e-01 1.L51 HD13 = 0.953(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.6845e-01 1.L51 HD21 = 0.955(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.3783e-01 1.L51 HD22 = 0.955(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.3783e-01 1.L51 HD23 = 0.955(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.3783e-01 1.Q52 CA = 59.418(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.8324e-01 1.Q52 CB = 28.659(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.7047e-01 1.Q52 CG = 33.559(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.5630e-01 1.Q52 HA = 4.666(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.6812e-01 1.Q52 HB2 = 2.284(D), Expected = 2.05, Std = 0.2500, ChiSquare = 3.4927e-01 1.Q52 HB3 = 2.497(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.8461e-02 1.Q52 HG2 = 2.748(D), Expected = 2.32, Std = 0.2700, ChiSquare = 1.1292e-01 1.Q52 HG3 = 2.414(D), Expected = 2.29, Std = 0.2900, ChiSquare = 6.6895e-01 1.K53 CA = 58.919(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.7079e-01 1.K53 CB = 32.366(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.1172e-01 1.K53 CG = 25.042(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.9300e-01 1.K53 CD = 28.992(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.7636e-01 1.K53 CE = 42.190(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.1447e-01 1.K53 HA = 4.105(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.0766e-01 1.K53 HB2 = 2.016(D), Expected = 1.78, Std = 0.2500, ChiSquare = 3.4517e-01 1.K53 HB3 = 2.016(D), Expected = 1.74, Std = 0.2700, ChiSquare = 3.0668e-01 1.K53 HG2 = 1.517(D), Expected = 1.37, Std = 0.2600, ChiSquare = 5.7181e-01 1.K53 HG3 = 1.536(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.0651e-01 1.K53 HD2 = 1.715(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.3317e-01 1.K53 HD3 = 1.715(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.0116e-01 1.K53 HE2 = 2.985(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.3227e-01 1.K53 HE3 = 2.986(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.0395e-01 1.I54 CA = 65.119(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.9042e-01 1.I54 CB = 39.556(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.4665e-01 1.I54 CG1 = 28.410(D), Expected = 27.71, Std = 1.6800, ChiSquare = 6.7692e-01 1.I54 CG2 = 16.569(D), Expected = 17.53, Std = 1.3600, ChiSquare = 4.7980e-01 1.I54 CD1 = 13.939(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.6053e-01 1.I54 HA = 3.603(D), Expected = 4.18, Std = 0.5600, ChiSquare = 3.0284e-01 1.I54 HB = 1.212(D), Expected = 1.78, Std = 0.2900, ChiSquare = 5.0157e-02 1.I54 HG12 = 1.675(D), Expected = 1.28, Std = 0.4000, ChiSquare = 3.2340e-01 1.I54 HG13 = 0.818(D), Expected = 1.19, Std = 0.4100, ChiSquare = 3.6424e-01 1.I54 HG21 = 0.046(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.3297e-03 1.I54 HG22 = 0.046(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.3297e-03 1.I54 HG23 = 0.046(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.3297e-03 1.I54 HD11 = 0.609(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.0659e-01 1.I54 HD12 = 0.609(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.0659e-01 1.I54 HD13 = 0.609(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.0659e-01 1.F55 CA = 58.957(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.3292e-01 1.F55 CB = 40.599(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.7075e-01 1.F55 CD1 = 132.181(D), Expected = 131.58, Std = 1.1800, ChiSquare = 6.1053e-01 1.F55 CD2 = 132.181(D), Expected = 131.63, Std = 1.1200, ChiSquare = 6.2274e-01 1.F55 CE1 = 131.438(D), Expected = 130.71, Std = 1.3000, ChiSquare = 5.7548e-01 1.F55 CE2 = 131.438(D), Expected = 130.76, Std = 1.1300, ChiSquare = 5.4851e-01 1.F55 HA = 4.757(D), Expected = 4.63, Std = 0.5700, ChiSquare = 8.2369e-01 1.F55 HB2 = 2.899(D), Expected = 3.00, Std = 0.3700, ChiSquare = 7.8487e-01 1.F55 HB3 = 3.153(D), Expected = 2.93, Std = 0.4000, ChiSquare = 5.7719e-01 1.F55 HD1 = 7.450(D), Expected = 7.06, Std = 0.3100, ChiSquare = 2.0837e-01 1.F55 HD2 = 7.450(D), Expected = 7.06, Std = 0.3100, ChiSquare = 2.0837e-01 1.F55 HE1 = 7.223(D), Expected = 7.08, Std = 0.3100, ChiSquare = 6.4459e-01 1.F55 HE2 = 7.223(D), Expected = 7.08, Std = 0.3200, ChiSquare = 6.5497e-01 1.G56 CA = 47.051(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.0430e-01 1.G56 HA2 = 4.000(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.3538e-01 1.G56 HA3 = 4.000(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.8695e-01 1.V57 CA = 58.263(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.3942e-01 1.V57 CB = 34.672(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.7796e-01 1.V57 CG1 = 21.465(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.8533e-01 1.V57 CG2 = 19.075(D), Expected = 21.26, Std = 1.5600, ChiSquare = 1.6132e-01 1.V57 HA = 4.488(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.0740e-01 1.V57 HB = 1.955(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.3773e-01 1.V57 HG11 = 0.771(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.2048e-01 1.V57 HG12 = 0.771(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.2048e-01 1.V57 HG13 = 0.771(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.2048e-01 1.V57 HG21 = 0.669(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.3989e-01 1.V57 HG22 = 0.669(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.3989e-01 1.V57 HG23 = 0.669(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.3989e-01 1.E58 CA = 57.314(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.9771e-01 1.E58 CB = 29.474(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.5532e-01 1.E58 CG = 36.682(D), Expected = 36.11, Std = 1.1900, ChiSquare = 6.3075e-01 1.E58 HA = 4.113(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.3827e-01 1.E58 HB2 = 1.960(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.7510e-01 1.E58 HB3 = 1.948(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.5511e-01 1.E58 HG2 = 2.235(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.6763e-01 1.E58 HG3 = 2.261(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.6012e-01 1.V59 CA = 61.888(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.3329e-01 1.V59 CB = 34.299(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.8074e-01 1.V59 CG1 = 21.829(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.0316e-01 1.V59 CG2 = 21.135(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.3614e-01 1.V59 HA = 4.560(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.2352e-01 1.V59 HB = 2.337(D), Expected = 1.98, Std = 0.3200, ChiSquare = 2.6458e-01 1.V59 HG11 = 1.006(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.9845e-01 1.V59 HG12 = 1.006(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.9845e-01 1.V59 HG13 = 1.006(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.9845e-01 1.V59 HG21 = 0.978(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.2496e-01 1.V59 HG22 = 0.978(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.2496e-01 1.V59 HG23 = 0.978(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.2496e-01 1.S60 CA = 56.138(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.1227e-01 1.S60 CB = 67.239(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.0144e-02 1.S60 HA = 5.041(D), Expected = 4.48, Std = 0.4000, ChiSquare = 1.6077e-01 1.S60 HB2 = 4.338(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.6952e-02 1.S60 HB3 = 3.981(D), Expected = 3.85, Std = 0.2700, ChiSquare = 6.2754e-01 1.T61 CA = 66.915(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.9872e-02 1.T61 CB = 67.893(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.5975e-01 1.T61 CG2 = 23.499(D), Expected = 21.55, Std = 1.1100, ChiSquare = 7.9113e-02 1.T61 HA = 3.601(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.3521e-02 1.T61 HB = 4.123(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.8675e-01 1.T61 HG21 = 1.277(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.5141e-01 1.T61 HG22 = 1.277(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.5141e-01 1.T61 HG23 = 1.277(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.5141e-01 1.E62 CA = 60.024(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.9574e-01 1.E62 CG = 36.877(D), Expected = 36.11, Std = 1.1900, ChiSquare = 5.1923e-01 1.E62 HA = 4.008(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.5503e-01 1.E62 HB2 = 1.999(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.2034e-01 1.E62 HB3 = 1.913(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.3779e-01 1.E62 HG2 = 2.284(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.4685e-01 1.D63 CA = 57.735(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.3361e-01 1.D63 CB = 41.236(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.2606e-01 1.D63 HA = 4.145(D), Expected = 4.59, Std = 0.3200, ChiSquare = 1.6434e-01 1.D63 HB2 = 2.966(D), Expected = 2.72, Std = 0.2600, ChiSquare = 3.4407e-01 1.D63 HB3 = 1.818(D), Expected = 2.66, Std = 0.2800, ChiSquare = 2.6372e-03 1.V64 CA = 66.138(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.0212e-01 1.V64 CB = 30.938(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.1677e-01 1.V64 CG1 = 21.719(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.6628e-01 1.V64 CG2 = 21.719(D), Expected = 21.26, Std = 1.5600, ChiSquare = 7.6858e-01 1.V64 H = 7.295(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.3752e-01 1.V64 HA = 3.333(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.3952e-01 1.V64 HB = 1.905(D), Expected = 1.98, Std = 0.3200, ChiSquare = 8.1469e-01 1.V64 HG11 = 0.014(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.6984e-03 1.V64 HG12 = 0.014(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.6984e-03 1.V64 HG13 = 0.014(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.6984e-03 1.V64 HG21 = 0.771(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.1751e-01 1.V64 HG22 = 0.771(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.1751e-01 1.V64 HG23 = 0.771(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.1751e-01 1.F65 CA = 60.441(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.5826e-01 1.F65 CB = 38.987(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.3130e-01 1.F65 CD1 = 131.584(D), Expected = 131.58, Std = 1.1800, ChiSquare = 9.9730e-01 1.F65 CD2 = 131.584(D), Expected = 131.63, Std = 1.1200, ChiSquare = 9.6724e-01 1.F65 CE1 = 131.521(D), Expected = 130.71, Std = 1.3000, ChiSquare = 5.3273e-01 1.F65 CE2 = 131.521(D), Expected = 130.76, Std = 1.1300, ChiSquare = 5.0066e-01 1.F65 H = 7.370(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.6913e-01 1.F65 HA = 4.156(D), Expected = 4.63, Std = 0.5700, ChiSquare = 4.0565e-01 1.F65 HB2 = 3.034(D), Expected = 3.00, Std = 0.3700, ChiSquare = 9.2678e-01 1.F65 HB3 = 3.054(D), Expected = 2.93, Std = 0.4000, ChiSquare = 7.5656e-01 1.F65 HD1 = 7.114(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.6171e-01 1.F65 HD2 = 7.114(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.6171e-01 1.F65 HE1 = 7.157(D), Expected = 7.08, Std = 0.3100, ChiSquare = 8.0383e-01 1.F65 HE2 = 7.157(D), Expected = 7.08, Std = 0.3200, ChiSquare = 8.0985e-01 1.R66 CA = 58.221(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.2991e-01 1.R66 CB = 30.951(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.9091e-01 1.R66 CG = 27.869(D), Expected = 27.21, Std = 1.2000, ChiSquare = 5.8289e-01 1.R66 CD = 43.187(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.7552e-01 1.R66 HA = 3.888(D), Expected = 4.30, Std = 0.4600, ChiSquare = 3.7044e-01 1.R66 HB2 = 1.310(D), Expected = 1.79, Std = 0.2700, ChiSquare = 7.5440e-02 1.R66 HB3 = 1.602(D), Expected = 1.76, Std = 0.2800, ChiSquare = 5.7256e-01 1.R66 HG2 = 1.182(D), Expected = 1.57, Std = 0.2700, ChiSquare = 1.5071e-01 1.R66 HG3 = 1.424(D), Expected = 1.54, Std = 0.2900, ChiSquare = 6.8916e-01 1.R66 HD2 = 3.054(D), Expected = 3.12, Std = 0.2400, ChiSquare = 7.8332e-01 1.R66 HD3 = 3.031(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.9071e-01 1.H67 CA = 55.018(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.1555e-01 1.H67 CB = 28.294(D), Expected = 30.24, Std = 2.0700, ChiSquare = 3.4717e-01 1.H67 CD2 = 121.728(D), Expected = 120.49, Std = 3.4200, ChiSquare = 7.1736e-01 1.H67 HA = 4.689(D), Expected = 4.61, Std = 0.4300, ChiSquare = 8.5423e-01 1.H67 HB2 = 2.566(D), Expected = 3.10, Std = 0.3600, ChiSquare = 1.3799e-01 1.H67 HB3 = 3.019(D), Expected = 3.04, Std = 0.3800, ChiSquare = 9.5593e-01 1.H67 HD2 = 6.622(D), Expected = 7.00, Std = 0.4300, ChiSquare = 3.7936e-01 1.H67 HE1 = 7.765(D), Expected = 7.95, Std = 0.4800, ChiSquare = 6.9993e-01 1.G68 CA = 49.428(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.3401e-03 1.G68 HA2 = 3.733(D), Expected = 3.97, Std = 0.3700, ChiSquare = 5.2182e-01 1.G68 HA3 = 4.364(D), Expected = 3.90, Std = 0.3700, ChiSquare = 2.0982e-01 1.T69 CA = 58.353(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.3542e-01 1.T69 CB = 73.332(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.7118e-02 1.T69 CG2 = 21.537(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.9066e-01 1.T69 HA = 3.833(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.9147e-01 1.T69 HB = 4.171(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.9758e-01 1.T69 HG21 = 0.837(D), Expected = 1.14, Std = 0.2300, ChiSquare = 1.8771e-01 1.T69 HG22 = 0.837(D), Expected = 1.14, Std = 0.2300, ChiSquare = 1.8771e-01 1.T69 HG23 = 0.837(D), Expected = 1.14, Std = 0.2300, ChiSquare = 1.8771e-01 1.V70 CA = 67.566(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.5927e-02 1.V70 CB = 30.690(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.5443e-01 1.V70 CG1 = 23.617(D), Expected = 21.49, Std = 1.3600, ChiSquare = 1.1782e-01 1.V70 CG2 = 22.749(D), Expected = 21.26, Std = 1.5600, ChiSquare = 3.3984e-01 1.V70 HA = 3.579(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.9214e-01 1.V70 HB = 2.278(D), Expected = 1.98, Std = 0.3200, ChiSquare = 3.5172e-01 1.V70 HG11 = 1.315(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.2128e-02 1.V70 HG12 = 1.315(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.2128e-02 1.V70 HG13 = 1.315(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.2128e-02 1.V70 HG21 = 1.108(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.7133e-01 1.V70 HG22 = 1.108(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.7133e-01 1.V70 HG23 = 1.108(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.7133e-01 1.E71 CA = 59.958(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.0688e-01 1.E71 CB = 30.269(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.8031e-01 1.E71 CG = 36.093(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.8860e-01 1.E71 HA = 3.932(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.3798e-01 1.E71 HB2 = 1.991(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.9017e-01 1.E71 HB3 = 1.933(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.0427e-01 1.E71 HG2 = 2.343(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.2813e-01 1.E71 HG3 = 2.080(D), Expected = 2.25, Std = 0.2200, ChiSquare = 4.3968e-01 1.Q72 CA = 58.735(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.1169e-01 1.Q72 CB = 29.630(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.0897e-01 1.Q72 CG = 34.864(D), Expected = 33.76, Std = 1.1100, ChiSquare = 3.1993e-01 1.Q72 HA = 4.091(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.8414e-01 1.Q72 HB2 = 1.941(D), Expected = 2.05, Std = 0.2500, ChiSquare = 6.6284e-01 1.Q72 HB3 = 2.338(D), Expected = 2.02, Std = 0.2800, ChiSquare = 2.5608e-01 1.Q72 HG2 = 2.478(D), Expected = 2.32, Std = 0.2700, ChiSquare = 5.5842e-01 1.Q72 HG3 = 2.479(D), Expected = 2.29, Std = 0.2900, ChiSquare = 5.1458e-01 1.L73 CA = 57.757(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1572e-01 1.L73 CB = 41.644(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.2315e-01 1.L73 CG = 27.253(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.6720e-01 1.L73 CD1 = 28.257(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.6113e-02 1.L73 CD2 = 22.886(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.9353e-01 1.L73 HA = 4.219(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.2985e-01 1.L73 HB2 = 1.977(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.8040e-01 1.L73 HB3 = 2.344(D), Expected = 1.52, Std = 0.3600, ChiSquare = 2.2086e-02 1.L73 HG = 1.686(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.9380e-01 1.L73 HD11 = 0.875(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.5529e-01 1.L73 HD12 = 0.875(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.5529e-01 1.L73 HD13 = 0.875(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.5529e-01 1.L73 HD21 = 0.960(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.2772e-01 1.L73 HD22 = 0.960(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.2772e-01 1.L73 HD23 = 0.960(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.2772e-01 1.A74 CA = 55.569(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.1991e-01 1.A74 CB = 18.526(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.9141e-01 1.A74 HA = 3.794(D), Expected = 4.26, Std = 0.4400, ChiSquare = 2.8956e-01 1.A74 HB1 = 1.409(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.2048e-01 1.A74 HB2 = 1.409(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.2048e-01 1.A74 HB3 = 1.409(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.2048e-01 1.R75 CA = 59.190(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.9481e-01 1.R75 CB = 29.830(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.3449e-01 1.R75 CG = 27.210(D), Expected = 27.21, Std = 1.2000, ChiSquare = 1.0000e+00 1.R75 CD = 43.470(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.2463e-01 1.R75 H = 7.284(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.1706e-01 1.R75 HA = 4.089(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.4645e-01 1.R75 HB2 = 1.952(D), Expected = 1.79, Std = 0.2700, ChiSquare = 5.4851e-01 1.R75 HB3 = 1.953(D), Expected = 1.76, Std = 0.2800, ChiSquare = 4.9064e-01 1.R75 HG2 = 1.757(D), Expected = 1.57, Std = 0.2700, ChiSquare = 4.8857e-01 1.R75 HG3 = 1.713(D), Expected = 1.54, Std = 0.2900, ChiSquare = 5.5081e-01 1.R75 HD2 = 3.251(D), Expected = 3.12, Std = 0.2400, ChiSquare = 5.8518e-01 1.R75 HD3 = 3.250(D), Expected = 3.10, Std = 0.2600, ChiSquare = 5.6399e-01 1.F76 CA = 60.869(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.7783e-01 1.F76 CB = 37.963(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.3212e-01 1.F76 CD1 = 131.189(D), Expected = 131.58, Std = 1.1800, ChiSquare = 7.4038e-01 1.F76 CD2 = 131.189(D), Expected = 131.63, Std = 1.1200, ChiSquare = 6.9377e-01 1.F76 CE1 = 131.280(D), Expected = 130.71, Std = 1.3000, ChiSquare = 6.6105e-01 1.F76 CE2 = 131.280(D), Expected = 130.76, Std = 1.1300, ChiSquare = 6.4539e-01 1.F76 CZ = 131.534(D), Expected = 129.21, Std = 1.4300, ChiSquare = 1.0413e-01 1.F76 HA = 4.138(D), Expected = 4.63, Std = 0.5700, ChiSquare = 3.8805e-01 1.F76 HB2 = 2.324(D), Expected = 3.00, Std = 0.3700, ChiSquare = 6.7696e-02 1.F76 HB3 = 3.047(D), Expected = 2.93, Std = 0.4000, ChiSquare = 7.6990e-01 1.F76 HD1 = 6.896(D), Expected = 7.06, Std = 0.3100, ChiSquare = 5.9678e-01 1.F76 HD2 = 6.896(D), Expected = 7.06, Std = 0.3100, ChiSquare = 5.9678e-01 1.F76 HE1 = 7.307(D), Expected = 7.08, Std = 0.3100, ChiSquare = 4.6401e-01 1.F76 HE2 = 7.307(D), Expected = 7.08, Std = 0.3200, ChiSquare = 4.7809e-01 1.F76 HZ = 7.364(D), Expected = 7.00, Std = 0.4200, ChiSquare = 3.8612e-01 1.V77 CA = 67.139(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.0405e-01 1.V77 CB = 30.863(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.9694e-01 1.V77 CG1 = 21.972(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.2303e-01 1.V77 CG2 = 20.385(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.7487e-01 1.V77 HA = 2.912(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.7563e-02 1.V77 HB = 1.832(D), Expected = 1.98, Std = 0.3200, ChiSquare = 6.4372e-01 1.V77 HG11 = 0.771(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.2048e-01 1.V77 HG12 = 0.771(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.2048e-01 1.V77 HG13 = 0.771(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.2048e-01 1.V77 HG21 = 0.062(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.3960e-03 1.V77 HG22 = 0.062(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.3960e-03 1.V77 HG23 = 0.062(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.3960e-03 1.E78 CA = 59.833(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.2921e-01 1.E78 CB = 29.969(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.8098e-01 1.E78 CG = 36.366(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.2967e-01 1.E78 HA = 3.639(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.3616e-01 1.E78 HB2 = 2.073(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.0075e-01 1.E78 HB3 = 2.059(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.6418e-01 1.E78 HG2 = 2.178(D), Expected = 2.27, Std = 0.2100, ChiSquare = 6.6132e-01 1.E78 HG3 = 2.178(D), Expected = 2.25, Std = 0.2200, ChiSquare = 7.4346e-01 1.Q79 CA = 58.099(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.7493e-01 1.Q79 CB = 28.410(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.6823e-01 1.Q79 CG = 34.155(D), Expected = 33.76, Std = 1.1100, ChiSquare = 7.2195e-01 1.Q79 HA = 4.062(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.3641e-01 1.Q79 HB2 = 2.053(D), Expected = 2.05, Std = 0.2500, ChiSquare = 9.9043e-01 1.Q79 HB3 = 2.051(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.1184e-01 1.Q79 HG2 = 2.498(D), Expected = 2.32, Std = 0.2700, ChiSquare = 5.0973e-01 1.Q79 HG3 = 2.390(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.3022e-01 1.S80 CA = 60.796(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.1591e-01 1.S80 CB = 63.089(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.3094e-01 1.S80 HA = 4.099(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.4084e-01 1.S80 HB2 = 3.568(D), Expected = 3.88, Std = 0.2500, ChiSquare = 2.1203e-01 1.S80 HB3 = 3.604(D), Expected = 3.85, Std = 0.2700, ChiSquare = 3.6224e-01 1.R81 CA = 57.561(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.3203e-01 1.R81 CB = 30.804(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.5468e-01 1.R81 CG = 26.787(D), Expected = 27.21, Std = 1.2000, ChiSquare = 7.2446e-01 1.R81 CD = 44.191(D), Expected = 43.16, Std = 0.8800, ChiSquare = 2.4136e-01 1.R81 HA = 4.104(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.7004e-01 1.R81 HB2 = 1.793(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.9113e-01 1.R81 HB3 = 1.824(D), Expected = 1.76, Std = 0.2800, ChiSquare = 8.1920e-01 1.R81 HG2 = 1.757(D), Expected = 1.57, Std = 0.2700, ChiSquare = 4.8857e-01 1.R81 HG3 = 1.639(D), Expected = 1.54, Std = 0.2900, ChiSquare = 7.3282e-01 1.R81 HD2 = 3.156(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.8076e-01 1.R81 HD3 = 3.076(D), Expected = 3.10, Std = 0.2600, ChiSquare = 9.2645e-01 1.D82 CA = 55.211(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.9745e-01 1.D82 CB = 41.104(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.9003e-01 1.D82 HA = 4.652(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.4637e-01 1.D82 HB2 = 2.691(D), Expected = 2.72, Std = 0.2600, ChiSquare = 9.1119e-01 1.D82 HB3 = 2.791(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.3989e-01 1.T83 CA = 62.968(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.7273e-01 1.T83 CB = 69.615(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.4375e-01 1.T83 CG2 = 21.669(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.1462e-01 1.T83 HA = 4.288(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.2009e-01 1.T83 HB = 4.330(D), Expected = 4.17, Std = 0.3300, ChiSquare = 6.2778e-01 1.T83 HG21 = 1.265(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.8680e-01 1.T83 HG22 = 1.265(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.8680e-01 1.T83 HG23 = 1.265(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.8680e-01 1.G84 CA = 45.709(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.8877e-01 1.G84 HA2 = 4.005(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.2464e-01 1.G84 HA3 = 4.001(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.8487e-01 1.R85 CA = 56.025(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.4707e-01 1.R85 CB = 30.911(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.0821e-01 1.R85 CG = 27.124(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.4287e-01 1.R85 CD = 43.385(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.9820e-01 1.R85 HA = 4.343(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.2552e-01 1.R85 HB2 = 1.825(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.9686e-01 1.R85 HB3 = 1.829(D), Expected = 1.76, Std = 0.2800, ChiSquare = 8.0535e-01 1.R85 HG2 = 1.625(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.3859e-01 1.R85 HG3 = 1.626(D), Expected = 1.54, Std = 0.2900, ChiSquare = 7.6681e-01 1.R85 HD2 = 3.219(D), Expected = 3.12, Std = 0.2400, ChiSquare = 6.7997e-01 1.R85 HD3 = 3.219(D), Expected = 3.10, Std = 0.2600, ChiSquare = 6.4717e-01 1.N86 CA = 51.263(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.2583e-01 1.N86 CB = 38.912(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.9549e-01 1.N86 HA = 4.990(D), Expected = 4.67, Std = 0.3600, ChiSquare = 3.7406e-01 1.N86 HB2 = 2.858(D), Expected = 2.81, Std = 0.3100, ChiSquare = 8.7695e-01 1.N86 HB3 = 2.749(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.9758e-01 1.P87 CA = 63.660(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.2813e-01 1.P87 CB = 32.087(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.4082e-01 1.P87 CG = 27.251(D), Expected = 27.17, Std = 1.0900, ChiSquare = 9.4076e-01 1.P87 CD = 50.778(D), Expected = 50.32, Std = 0.9900, ChiSquare = 6.4363e-01 1.P87 HA = 4.415(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.6375e-01 1.P87 HB2 = 1.971(D), Expected = 2.08, Std = 0.3500, ChiSquare = 7.5547e-01 1.P87 HB3 = 2.311(D), Expected = 2.00, Std = 0.3600, ChiSquare = 3.8765e-01 1.P87 HG2 = 2.017(D), Expected = 1.93, Std = 0.3100, ChiSquare = 7.7898e-01 1.P87 HG3 = 2.010(D), Expected = 1.90, Std = 0.3300, ChiSquare = 7.3888e-01 1.P87 HD2 = 3.806(D), Expected = 3.65, Std = 0.3500, ChiSquare = 6.5580e-01 1.P87 HD3 = 3.772(D), Expected = 3.61, Std = 0.3900, ChiSquare = 6.7786e-01 1.A88 CA = 52.462(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.3203e-01 1.A88 CB = 19.008(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.9913e-01 1.A88 HA = 4.319(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.9333e-01 1.A88 HB1 = 1.402(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.4148e-01 1.A88 HB2 = 1.402(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.4148e-01 1.A88 HB3 = 1.402(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.4148e-01 1.A89 CA = 52.486(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.4117e-01 1.A89 CB = 19.252(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.9479e-01 1.A89 HA = 4.334(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.6644e-01 1.A89 HB1 = 1.418(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.9368e-01 1.A89 HB2 = 1.418(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.9368e-01 1.A89 HB3 = 1.418(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.9368e-01 1.Q90 CA = 55.801(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.1934e-01 1.Q90 CB = 29.578(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.3118e-01 1.Q90 HA = 4.430(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.1613e-01 1.Q90 HB3 = 2.166(D), Expected = 2.02, Std = 0.2800, ChiSquare = 6.0207e-01 1.Q90 HG2 = 2.400(D), Expected = 2.32, Std = 0.2700, ChiSquare = 7.6700e-01 1.Q90 HG3 = 2.400(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.0446e-01 1.T91 CA = 61.859(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.8915e-01 1.T91 CB = 69.925(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.0477e-01 1.T91 CG2 = 21.515(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.7485e-01 1.T91 HA = 4.364(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.4148e-01 1.T91 HB = 4.258(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.8973e-01 1.T91 HG21 = 1.213(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.5095e-01 1.T91 HG22 = 1.213(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.5095e-01 1.T91 HG23 = 1.213(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.5095e-01 1.Q92 CA = 57.476(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.7203e-01 1.Q92 CB = 30.384(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.1180e-01 1.Q92 CG = 34.257(D), Expected = 33.76, Std = 1.1100, ChiSquare = 6.5434e-01 1.Q92 HA = 4.200(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.7360e-01 1.Q92 HB2 = 2.130(D), Expected = 2.05, Std = 0.2500, ChiSquare = 7.4897e-01 1.Q92 HB3 = 1.949(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.9983e-01 1.Q92 HG2 = 2.314(D), Expected = 2.32, Std = 0.2700, ChiSquare = 9.8227e-01 1.Q92 HG3 = 2.314(D), Expected = 2.29, Std = 0.2900, ChiSquare = 9.3404e-01