Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.4 L 0.3 G 0.09 D 0.06 F 0.05 C 0.03 Y 0.03 C Shift Assignments>> CA :: 43.5 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.90 HA3 :: 3.90 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.S2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.0 CA :: 58.3 CB :: 64.1 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.48(D) HB2 :: 3.77(D) HB3 :: 3.81(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) 1.M3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.53 C 0.38 A 0.07 HN Overlap>> 1.C58 1.C58 C Shift Assignments>> C :: 175.4 CA :: 55.2 CB :: 33.0 CG :: 31.3 CE :: 15.8 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>> H :: 8.34(D) HA :: 4.10(D) HB2 :: 1.17(D) HB3 :: 1.40(D) HG2 :: 1.45(D) HG3 :: 1.49(D) HE1 :: 0.69(D) HE2 :: 0.69(D) HE3 :: 0.69(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) N Shift Assignments>> N :: 122.4 Ave N Shift Values>> N :: 120.09(3.57) 1.D4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.28 D 0.26 G 0.15 R 0.13 C 0.05 N 0.05 F 0.02 Y 0.01 C Shift Assignments>> CA :: 51.3 CB :: 42.9 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 :: 8.43(D) HA :: 4.96(D) HB2 :: 2.66(D) HB3 :: 2.89(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 :: 125.9 Ave N Shift Values>> N :: 120.65(3.86) 1.P5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.8 C 0.18 C Shift Assignments>> C :: 176.3 CA :: 64.5 CB :: 32.3 CG :: 26.7 CD :: 51.3 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 :: 4.41(D) HB2 :: 2.32(D) HB3 :: 2.03(D) HG2 :: 1.94(D) HG3 :: 2.08(D) HD2 :: 3.93(D) HD3 :: 3.97(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.N6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> N 0.52 D 0.38 C 0.08 C Shift Assignments>> C :: 174.8 CA :: 53.0 CB :: 40.1 CG :: 177.4 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 :: 8.66(D) HA :: 4.86(D) HB2 :: 2.65(D) HB3 :: 2.81(D) HD21 :: 7.89(D) HD22 :: 6.97(D) 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 :: 115.8 ND2 :: 114.5 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.91 M 0.05 C 0.01 C Shift Assignments>> C :: 175.1 CA :: 51.9 CB :: 19.5 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.14(D) HA :: 4.05(D) HB1 :: 1.08(D) HB2 :: 1.08(D) HB3 :: 1.08(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.5 Ave N Shift Values>> N :: 123.23(3.54) 1.L8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.41 L 0.34 C 0.21 G 0.01 R 0.01 C Shift Assignments>> C :: 175.4 CA :: 53.6 CB :: 42.1 CG :: 26.3 CD1 :: 21.4 CD2 :: 24.8 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 :: 7.78(D) HA :: 3.88(D) HB2 :: 0.59(D) HB3 :: 1.55(D) HG :: 1.55(D) HD11 :: 0.62(D) HD12 :: 0.62(D) HD13 :: 0.62(D) HD21 :: 0.82(D) HD22 :: 0.82(D) HD23 :: 0.82(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 :: 116.8 Ave N Shift Values>> N :: 121.86(3.9) 1.Y9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> Y 0.54 G 0.25 C 0.2 HN Overlap>> 1.R42 1.R19 1.R42 1.R19 C Shift Assignments>> C :: 175.5 CA :: 57.5 CB :: 43.7 CD1 :: 133.3 CD2 :: 133.3 CE1 :: 118.3 CE2 :: 118.3 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.80(D) HA :: 4.83(D) HB2 :: 2.06(D) HB3 :: 2.98(D) HD1 :: 7.15(D) HD2 :: 7.15(D) HE1 :: 6.94(D) HE2 :: 6.94(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.0 Ave N Shift Values>> N :: 120.52(4.2) 1.C10 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.19 W 0.18 E 0.15 R 0.12 H 0.11 Q 0.09 I 0.04 M 0.03 V 0.03 C Shift Assignments>> C :: 176.5 CA :: 59.0 CB :: 30.1 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.76(D) HA :: 3.93(D) HB2 :: 2.37(D) HB3 :: 4.76(A) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 114.9 Ave N Shift Values>> N :: 120.17(4.64) 1.I11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 177.7 CA :: 64.2 CB :: 38.8 CG1 :: 28.0 CG2 :: 18.9 CD1 :: 13.9 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 :: 10.08(D) HA :: 4.44(D) HB :: 2.22(D) HG12 :: 1.57(D) HG13 :: 1.79(D) HG21 :: 1.27(D) HG22 :: 1.27(D) HG23 :: 1.27(D) HD11 :: 1.05(D) HD12 :: 1.05(D) HD13 :: 1.05(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 :: 124.8 Ave N Shift Values>> N :: 121.46(4.28) 1.C12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.17 W 0.17 E 0.15 R 0.14 H 0.13 Q 0.09 M 0.06 V 0.03 I 0.02 C Shift Assignments>> C :: 175.6 CA :: 58.4 CB :: 30.6 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.59(D) HA :: 4.64(D) HB2 :: 3.15(D) HB3 :: 3.28(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.5 Ave N Shift Values>> N :: 120.17(4.64) 1.R13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.89 G 0.05 R 0.03 A 0.01 C Shift Assignments>> C :: 173.9 CA :: 55.2 CB :: 25.4 CG :: 24.7 CD :: 42.2 CZ :: 159.8 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 :: 7.69(D) HA :: 3.89(D) HB2 :: 1.70(D) HB3 :: 2.33(D) HG2 :: 1.55(D) HG3 :: 1.72(D) HD2 :: 3.14(D) HD3 :: 3.23(D) HE :: 6.91(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 :: 119.7 NE :: 82.7 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.Q14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> Q 0.47 C 0.45 E 0.07 C Shift Assignments>> CA :: 53.4 CB :: 31.3 CG :: 33.6 CD :: 180.9 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 :: 8.11(D) HA :: 5.06(D) HB2 :: 2.15(D) HB3 :: 2.26(D) HG2 :: 2.49(D) HG3 :: 2.49(D) HE21 :: 7.34(D) HE22 :: 6.84(D) 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 :: 117.5 NE2 :: 112.4 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.56 C 0.43 C Shift Assignments>> C :: 177.9 CA :: 61.9 CB :: 32.7 CG :: 27.6 CD :: 51.0 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 :: 5.25(D) HB2 :: 2.50(D) HB3 :: 1.89(D) HG2 :: 1.85(D) HG3 :: 1.98(D) HD2 :: 3.56(D) HD3 :: 3.69(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.H16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.37 W 0.36 H 0.26 C Shift Assignments>> C :: 176.0 CA :: 59.8 CB :: 31.3 CD2 :: 119.8 CE1 :: 138.9 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 :: 9.80(D) HA :: 4.47(D) HB2 :: 2.97(D) HB3 :: 3.20(D) HD2 :: 7.22 HE1 :: 7.79 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 :: 122.5 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> N 0.61 C 0.23 D 0.13 E 0.01 C Shift Assignments>> C :: 174.1 CA :: 53.8 CB :: 37.5 CG :: 177.9 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 :: 8.45(D) HA :: 4.17(D) HB2 :: 2.42(D) HB3 :: 3.05(D) HD21 :: 7.28(D) HD22 :: 6.92(D) 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 :: 115.3 ND2 :: 111.3 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.42 N 0.31 D 0.13 E 0.1 Q 0.01 C Shift Assignments>> C :: 174.7 CA :: 54.8 CB :: 37.1 CG :: 178.8 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 :: 9.01(D) HA :: 4.21(D) HB2 :: 2.91(D) HB3 :: 3.05(D) HD21 :: 7.57(D) HD22 :: 6.89(D) 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 :: 111.7 ND2 :: 113.5 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.41 R 0.31 G 0.27 HN Overlap>> 1.Y9 1.Y9 C Shift Assignments>> C :: 175.9 CA :: 55.7 CB :: 32.9 CG :: 26.5 CD :: 44.4 CZ :: 159.6 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 :: 7.71(D) HA :: 4.43(D) HB2 :: 2.00(D) HB3 :: 2.28(D) HG2 :: 1.76(D) HG3 :: 1.88(D) HD2 :: 2.95(D) HD3 :: 3.26(D) HE :: 7.29(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 :: 120.0 NE :: 82.3 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.F20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> F 0.64 C 0.35 C Shift Assignments>> C :: 175.5 CA :: 59.8 CB :: 38.7 CD1 :: 131.4 CD2 :: 131.4 CE1 :: 129.6 CE2 :: 129.6 CZ :: 129.6 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 :: 8.68(D) HA :: 4.51(D) HB2 :: 2.92(D) HB3 :: 3.40(D) HD1 :: 7.25(D) HD2 :: 7.25(D) HE1 :: 7.16(D) HE2 :: 7.16(D) HZ :: 7.05(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 :: 120.2 Ave N Shift Values>> N :: 120.45(4.18) 1.M21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.51 M 0.34 A 0.14 C Shift Assignments>> C :: 173.1 CA :: 52.7 CB :: 36.2 CG :: 31.6 CE :: 14.8 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>> H :: 7.88(D) HA :: 5.31(D) HB2 :: 1.59(D) HB3 :: 1.81(D) HG2 :: 2.26(D) HG3 :: 2.42(D) HE1 :: 0.90(D) HE2 :: 0.90(D) HE3 :: 0.90(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) N Shift Assignments>> N :: 129.1 Ave N Shift Values>> N :: 120.09(3.57) 1.I22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.82 G 0.1 I 0.07 C Shift Assignments>> C :: 171.3 CA :: 59.1 CB :: 43.1 CG1 :: 28.3 CG2 :: 15.0 CD1 :: 15.1 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 :: 9.18(D) HA :: 4.39(D) HB :: 1.17(D) HG12 :: 0.64(D) HG13 :: 1.25(D) HG21 :: 0.29(D) HG22 :: 0.29(D) HG23 :: 0.29(D) HD11 :: 0.53(D) HD12 :: 0.53(D) HD13 :: 0.53(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 :: 119.1 Ave N Shift Values>> N :: 121.46(4.28) 1.C23 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.24 L 0.21 C 0.14 Q 0.12 W 0.08 H 0.07 E 0.05 I 0.04 C Shift Assignments>> C :: 174.4 CA :: 56.6 CB :: 27.1 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.00(D) HA :: 4.39(D) HB2 :: -0.01(S) HB3 :: 1.58(D) HG :: 0.10(A) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 128.4 Ave N Shift Values>> N :: 120.17(4.64) 1.C24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.3 V 0.18 M 0.1 Q 0.1 W 0.09 R 0.08 H 0.06 E 0.04 C Shift Assignments>> C :: 177.3 CA :: 59.4 CB :: 32.9 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.75(D) HA :: 4.55(D) HB2 :: 2.82(D) HB3 :: 3.68(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 129.7 Ave N Shift Values>> N :: 120.17(4.64) 1.D25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> R 0.28 L 0.24 F 0.15 Y 0.1 C 0.08 D 0.08 I 0.01 G 0.01 C Shift Assignments>> C :: 175.8 CA :: 57.4 CB :: 42.6 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 :: 9.39(D) HA :: 4.51 HB2 :: 2.54(D) HB3 :: 2.62(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 :: 130.0 Ave N Shift Values>> N :: 120.65(3.86) 1.R26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> R 0.49 C 0.47 G 0.03 C Shift Assignments>> C :: 177.0 CA :: 57.9 CB :: 30.9 CG :: 27.5 CD :: 42.9 CZ :: 159.4 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 :: 9.39(D) HA :: 4.52(D) HB2 :: 2.08(D) HB3 :: 2.17(D) HG2 :: 1.63(D) HG3 :: 1.63(D) HD2 :: 3.14(D) HD3 :: 3.22(D) HE :: 7.33(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 :: 120.8 NE :: 84.9 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.C27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.26 V 0.14 W 0.14 R 0.11 E 0.09 H 0.09 M 0.08 Q 0.03 P 0.01 C Shift Assignments>> C :: 176.2 CA :: 59.5 CB :: 31.9 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.55(D) HA :: 4.77(D) HB2 :: 2.68(D) HB3 :: 3.23(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.0 Ave N Shift Values>> N :: 120.17(4.64) 1.E28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.45 I 0.36 E 0.15 L 0.01 C Shift Assignments>> C :: 174.7 CA :: 58.4 CB :: 27.1 CG :: 37.3 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 :: 7.66(D) HA :: 4.18(D) HB2 :: 2.15 HB3 :: 2.18(D) HG2 :: 1.97(D) HG3 :: 2.07(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 :: 116.7 Ave N Shift Values>> N :: 120.67(3.48) 1.E29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> E 0.39 C 0.34 M 0.2 Q 0.04 HN Overlap>> 1.R44 1.R48 1.R44 1.R48 C Shift Assignments>> C :: 174.7 CA :: 55.7 CB :: 31.0 CG :: 36.3 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 :: 8.22(D) HA :: 4.63(D) HB2 :: 2.09(D) HB3 :: 2.21(D) HG2 :: 2.07 HG3 :: 2.07 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 :: 120.6 Ave N Shift Values>> N :: 120.67(3.48) 1.W30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> C :: 175.6 CA :: 56.8 CB :: 31.3 CD1 :: 127.2 CE3 :: 120.2 CZ2 :: 114.6 CZ3 :: 121.7 CH2 :: 124.7 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 :: 8.25(D) HA :: 4.84(D) HB2 :: 2.38(D) HB3 :: 2.38(D) HD1 :: 7.19(D) HE1 :: 9.84(D) HE3 :: 6.87(D) HZ2 :: 7.40(D) HZ3 :: 6.66(D) HH2 :: 7.07(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 :: 121.0 NE1 :: 129.6 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> F 0.67 C 0.27 G 0.04 C Shift Assignments>> C :: 176.8 CA :: 56.6 CB :: 42.5 CD1 :: 132.5 CD2 :: 132.5 CE1 :: 131.2 CE2 :: 131.2 CZ :: 131.2 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 :: 9.21(D) HA :: 4.58(D) HB2 :: 2.54(D) HB3 :: 3.29(D) HD1 :: 7.52(D) HD2 :: 7.52(D) HE1 :: 7.22(D) HE2 :: 7.22(D) HZ :: 7.65(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 :: 117.2 Ave N Shift Values>> N :: 120.45(4.18) 1.H32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> H 0.35 C 0.32 W 0.31 C Shift Assignments>> C :: 178.4 CA :: 57.3 CB :: 29.8 CD2 :: 118.3 CE1 :: 138.6 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 :: 9.74(D) HA :: 5.17(D) HB2 :: 3.44(D) HB3 :: 4.20(D) HD2 :: 7.16 HE1 :: 7.54 HE2 :: 11.52 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 :: 122.6 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> P 0.52 A 0.15 G 0.15 C 0.06 N 0.05 D 0.01 C Shift Assignments>> C :: 176.6 CA :: 48.5 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.09(D) HA2 :: 3.65(D) HA3 :: 4.24(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.9 Ave N Shift Values>> N :: 109.67(3.87) 1.D34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> F 0.25 Y 0.24 D 0.15 L 0.12 C 0.12 N 0.05 I 0.04 C Shift Assignments>> C :: 179.2 CA :: 56.7 CB :: 40.0 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 :: 9.11(D) HA :: 4.40(D) HB2 :: 2.70(D) HB3 :: 2.84(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 :: 118.2 Ave N Shift Values>> N :: 120.65(3.86) 1.C35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> P 0.31 V 0.27 C 0.19 I 0.11 W 0.06 R 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 177.3 CA :: 63.0 CB :: 30.6 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.66(D) HA :: 4.23(D) HB2 :: 3.15(D) HB3 :: 3.46(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.5 Ave N Shift Values>> N :: 120.17(4.64) 1.V36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.89 V 0.09 C Shift Assignments>> C :: 175.9 CA :: 60.5 CB :: 32.0 CG1 :: 17.8 CG2 :: 21.7 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 :: 7.36(D) HA :: 4.63(D) HB :: 2.55(D) HG11 :: 0.82(D) HG12 :: 0.82(D) HG13 :: 0.82(D) HG21 :: 0.87(D) HG22 :: 0.87(D) HG23 :: 0.87(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 :: 107.0 Ave N Shift Values>> N :: 121.14(4.54) 1.G37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 174.4 CA :: 46.8 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.67(D) HA2 :: 3.90(D) HA3 :: 4.09(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.3 Ave N Shift Values>> N :: 109.67(3.87) 1.I38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> I 0.52 C 0.46 C Shift Assignments>> C :: 174.0 CA :: 59.0 CB :: 38.8 CG1 :: 26.7 CG2 :: 16.7 CD1 :: 11.5 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 :: 8.51(D) HA :: 4.34(D) HB :: 1.69(D) HG12 :: 1.21(D) HG13 :: 1.21(D) HG21 :: 0.82(D) HG22 :: 0.82(D) HG23 :: 0.82(D) HD11 :: 0.74(D) HD12 :: 0.74(D) HD13 :: 0.74(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 :: 122.2 Ave N Shift Values>> N :: 121.46(4.28) 1.S39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2 CA :: 56.8 CB :: 65.2 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.01(D) HA :: 4.45(D) HB2 :: 3.95(D) HB3 :: 4.21(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 :: 121.5 Ave N Shift Values>> N :: 116.28(3.52) 1.E40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.38 E 0.36 I 0.18 Q 0.05 C Shift Assignments>> C :: 178.0 CA :: 59.2 CB :: 29.0 CG :: 36.1 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 :: 8.66(D) HA :: 2.62(S) HB2 :: 1.55(D) HB3 :: 1.67(D) HG2 :: 1.84(D) HG3 :: 1.84(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 :: 122.6 Ave N Shift Values>> N :: 120.67(3.48) 1.A41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.5 A 0.43 I 0.02 C 0.02 C Shift Assignments>> C :: 180.5 CA :: 54.9 CB :: 18.1 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.12(D) HA :: 3.94(D) HB1 :: 1.31(D) HB2 :: 1.31(D) HB3 :: 1.31(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.7 Ave N Shift Values>> N :: 123.23(3.54) 1.R42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> R 0.48 C 0.45 G 0.04 L 0.01 HN Overlap>> 1.Y9 1.Y9 C Shift Assignments>> C :: 178.6 CA :: 58.2 CB :: 29.5 CG :: 27.4 CD :: 43.1 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 :: 7.84(D) HA :: 4.10(D) HB2 :: 1.86(D) HB3 :: 2.01(D) HG2 :: 1.66(D) HG3 :: 1.73(D) HD2 :: 3.24(D) HD3 :: 3.32(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 :: 120.1 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.G43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 175.9 CA :: 47.2 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.84(D) HA2 :: 3.72(D) HA3 :: 3.77(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.6 Ave N Shift Values>> N :: 109.67(3.87) 1.R44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> R 0.48 C 0.45 G 0.05 HN Overlap>> 1.E29 1.E29 1.R48 1.R48 C Shift Assignments>> C :: 178.8 CA :: 58.5 CB :: 29.8 CG :: 27.5 CD :: 43.2 CZ :: 159.6 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 :: 8.24(D) HA :: 4.24(D) HB2 :: 1.85(D) HB3 :: 1.89(D) HG2 :: 1.75(D) HG3 :: 1.75(D) HD2 :: 3.16(D) HD3 :: 3.24(D) HE :: 7.45(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 :: 120.5 NE :: 85.1 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.L45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.58 C 0.39 R 0.01 C Shift Assignments>> C :: 178.5 CA :: 57.7 CB :: 41.9 CG :: 26.8 CD1 :: 24.3 CD2 :: 24.6 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 :: 7.61(D) HA :: 4.14(D) HB2 :: 1.78(D) HB3 :: 1.80 HG :: 1.69(D) HD11 :: 0.87(D) HD12 :: 0.87(D) HD13 :: 0.87(D) HD21 :: 0.92(D) HD22 :: 0.92(D) HD23 :: 0.92(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 :: 122.1 Ave N Shift Values>> N :: 121.86(3.9) 1.L46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.5 L 0.44 R 0.04 C Shift Assignments>> C :: 179.3 CA :: 58.3 CB :: 41.5 CG :: 27.0 CD1 :: 23.3 CD2 :: 25.9 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 :: 8.15(D) HA :: 4.11(D) HB2 :: 1.67(D) HB3 :: 1.95(D) HG :: 1.87(D) HD11 :: 0.86(D) HD12 :: 0.86(D) HD13 :: 0.86(D) HD21 :: 0.92(D) HD22 :: 0.92(D) HD23 :: 0.92(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 :: 120.1 Ave N Shift Values>> N :: 121.86(3.9) 1.E47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> E 0.4 C 0.39 I 0.1 Q 0.04 M 0.04 C Shift Assignments>> C :: 179.7 CA :: 58.8 CB :: 29.9 CG :: 36.2 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 :: 7.80(D) HA :: 4.19(D) HB2 :: 2.17(D) HB3 :: 2.24(D) HG2 :: 2.27(D) HG3 :: 2.47(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 :: 117.8 Ave N Shift Values>> N :: 120.67(3.48) 1.R48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> R 0.45 C 0.45 G 0.09 HN Overlap>> 1.E29 1.R44 1.E29 1.R44 C Shift Assignments>> C :: 177.8 CA :: 58.4 CB :: 30.2 CG :: 27.1 CD :: 43.6 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 :: 8.25(D) HA :: 4.16(D) HB2 :: 1.97(D) HB3 :: 1.97(D) HG2 :: 1.73 HG3 :: 1.78(D) HD2 :: 3.22(D) HD3 :: 3.22(D) HE :: 7.25(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 :: 120.5 NE :: 84.8 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.N49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> N 0.7 D 0.17 C 0.12 C Shift Assignments>> C :: 176.0 CA :: 53.1 CB :: 38.8 CG :: 176.7 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 :: 8.28(D) HA :: 4.74(D) HB2 :: 2.90(D) HB3 :: 2.98(D) HD21 :: 7.62(D) HD22 :: 6.75(D) 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 :: 116.1 ND2 :: 110.9 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.7 CA :: 46.6 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.06(D) HA2 :: 3.96(D) HA3 :: 3.96(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.3 Ave N Shift Values>> N :: 109.67(3.87) 1.E51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.41 E 0.31 M 0.24 Q 0.01 C Shift Assignments>> C :: 175.3 CA :: 55.5 CB :: 31.9 CG :: 36.7 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 :: 8.18(D) HA :: 4.36(D) HB2 :: 1.94(D) HB3 :: 2.05(D) HG2 :: 2.21(D) HG3 :: 2.21(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 :: 120.3 Ave N Shift Values>> N :: 120.67(3.48) 1.D52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> D 0.34 L 0.31 F 0.08 N 0.07 R 0.06 Y 0.05 C 0.05 C Shift Assignments>> C :: 175.8 CA :: 54.1 CB :: 41.8 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 :: 8.35(D) HA :: 4.65(D) HB2 :: 2.48(D) HB3 :: 2.48(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 :: 121.9 Ave N Shift Values>> N :: 120.65(3.86) 1.Y53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 172.5 CA :: 58.7 CB :: 39.1 CD1 :: 132.4 CD2 :: 132.4 CE1 :: 117.2 CE2 :: 117.2 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.20(D) HA :: 4.49(D) HB2 :: 2.85(D) HB3 :: 2.85(D) HD1 :: 6.75(D) HD2 :: 6.75(D) HE1 :: 6.29(D) HE2 :: 6.29(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.9 Ave N Shift Values>> N :: 120.52(4.2) 1.I54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> I 0.5 C 0.46 A 0.02 C Shift Assignments>> C :: 174.9 CA :: 58.4 CB :: 38.3 CG1 :: 26.9 CG2 :: 18.7 CD1 :: 12.2 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 :: 6.79(D) HA :: 4.65(D) HB :: 1.47(D) HG12 :: 0.97(D) HG13 :: 1.28(D) HG21 :: 0.66(D) HG22 :: 0.66(D) HG23 :: 0.66(D) HD11 :: 0.72(D) HD12 :: 0.72(D) HD13 :: 0.72(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 :: 127.5 Ave N Shift Values>> N :: 121.46(4.28) 1.C55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.17 W 0.16 E 0.15 R 0.15 H 0.13 Q 0.09 M 0.07 V 0.02 I 0.01 C Shift Assignments>> CA :: 58.1 CB :: 30.7 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.07(D) HA :: 4.32(D) HB2 :: 2.12(D) HB3 :: 2.37(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 131.6 Ave N Shift Values>> N :: 120.17(4.64) 1.P56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 178.8 CA :: 65.2 CB :: 32.3 CG :: 28.0 CD :: 50.1 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 :: 4.20(D) HB2 :: 2.43(D) HB3 :: 1.75(D) HG2 :: 1.94(D) HG3 :: 1.94(D) HD2 :: 3.01(D) HD3 :: 3.77(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.N57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> N 0.55 C 0.26 D 0.18 C Shift Assignments>> C :: 177.2 CA :: 55.3 CB :: 38.8 CG :: 176.5 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 :: 8.37(D) HA :: 4.57(D) HB2 :: 2.85(D) HB3 :: 3.06(D) HD21 :: 8.11(D) HD22 :: 6.99(D) 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 :: 116.2 ND2 :: 113.8 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> P 0.26 V 0.25 C 0.21 I 0.12 W 0.07 R 0.02 E 0.01 H 0.01 HN Overlap>> 1.M3 1.M3 C Shift Assignments>> C :: 176.5 CA :: 62.7 CB :: 30.5 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.30(D) HA :: 4.03(D) HB2 :: 2.77(D) HB3 :: 2.82(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 122.4 Ave N Shift Values>> N :: 120.17(4.64) 1.T59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.1 CA :: 64.6 CB :: 69.5 CG2 :: 21.0 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 :: 7.60(D) HA :: 3.86(D) HB :: 4.04(D) HG21 :: 1.10(D) HG22 :: 1.10(D) HG23 :: 1.10(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 :: 115.6 Ave N Shift Values>> N :: 115.42(4.75) 1.I60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 175.2 CA :: 61.2 CB :: 38.5 CG1 :: 26.8 CG2 :: 17.7 CD1 :: 13.2 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 :: 7.48(D) HA :: 4.21(D) HB :: 1.95(D) HG12 :: 1.17(D) HG13 :: 1.40(D) HG21 :: 0.90(D) HG22 :: 0.90(D) HG23 :: 0.90(D) HD11 :: 0.86(D) HD12 :: 0.86(D) HD13 :: 0.86(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 :: 120.7 Ave N Shift Values>> N :: 121.46(4.28) 1.L61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.49 C 0.34 R 0.09 G 0.06 C Shift Assignments>> CA :: 56.9 CB :: 43.2 CG :: 26.9 CD1 :: 23.3 CD2 :: 25.4 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 :: 7.57(D) HA :: 4.14(D) HB2 :: 1.53(D) HB3 :: 1.61(D) HG :: 1.62 HD11 :: 0.84(D) HD12 :: 0.84(D) HD13 :: 0.84(D) HD21 :: 0.89(D) HD22 :: 0.89(D) HD23 :: 0.89(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 :: 131.2 Ave N Shift Values>> N :: 121.86(3.9) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 1 #Clerical: 57 #Suspicious: 1 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 61 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 61 #Suspicious: 0 C Shift Results: #Consistent: 268 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 14 #Duplicate: 393 #Unknown: 0 #Suspicious: 2 #Anomalous: 2 N Shift Results: #Consistent: 68 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S2 HA = 4.48(D), Expected = 4.48, Std = 0.4000, ChiSquare = 1.0000e+00 1.S2 HB2 = 3.77(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.5994e-01 1.S2 HB3 = 3.81(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.8223e-01 1.M3 H = 8.34(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.9393e-01 1.M3 HA = 4.10(D), Expected = 4.41, Std = 0.4800, ChiSquare = 5.1839e-01 1.M3 HB2 = 1.17(D), Expected = 2.03, Std = 0.3400, ChiSquare = 1.1425e-02 1.M3 HB3 = 1.40(D), Expected = 1.99, Std = 0.3400, ChiSquare = 8.2689e-02 1.M3 HG2 = 1.45(D), Expected = 2.42, Std = 0.3500, ChiSquare = 5.5811e-03 1.M3 HG3 = 1.49(D), Expected = 2.39, Std = 0.3800, ChiSquare = 1.7864e-02 1.M3 HE1 = 0.69(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.0888e-03 1.M3 HE2 = 0.69(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.0888e-03 1.M3 HE3 = 0.69(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.0888e-03 1.D4 H = 8.43(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.3609e-01 1.D4 HA = 4.96(D), Expected = 4.59, Std = 0.3200, ChiSquare = 2.4758e-01 1.D4 HB2 = 2.66(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.1749e-01 1.D4 HB3 = 2.89(D), Expected = 2.66, Std = 0.2800, ChiSquare = 4.1140e-01 1.P5 HA = 4.41(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.7583e-01 1.P5 HB2 = 2.32(D), Expected = 2.08, Std = 0.3500, ChiSquare = 4.9289e-01 1.P5 HB3 = 2.03(D), Expected = 2.00, Std = 0.3600, ChiSquare = 9.3359e-01 1.P5 HG2 = 1.94(D), Expected = 1.93, Std = 0.3100, ChiSquare = 9.7427e-01 1.P5 HG3 = 2.08(D), Expected = 1.90, Std = 0.3300, ChiSquare = 5.8544e-01 1.P5 HD2 = 3.93(D), Expected = 3.65, Std = 0.3500, ChiSquare = 4.2371e-01 1.P5 HD3 = 3.97(D), Expected = 3.61, Std = 0.3900, ChiSquare = 3.5597e-01 1.N6 H = 8.66(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.1150e-01 1.N6 HA = 4.86(D), Expected = 4.67, Std = 0.3600, ChiSquare = 5.9765e-01 1.N6 HB2 = 2.65(D), Expected = 2.81, Std = 0.3100, ChiSquare = 6.0576e-01 1.N6 HB3 = 2.81(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.5573e-01 1.N6 HD21 = 7.89(D), Expected = 7.35, Std = 0.4800, ChiSquare = 2.6059e-01 1.N6 HD22 = 6.97(D), Expected = 7.14, Std = 0.4900, ChiSquare = 7.2864e-01 1.A7 H = 7.14(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.7284e-02 1.A7 HA = 4.05(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.3317e-01 1.A7 HB1 = 1.08(D), Expected = 1.35, Std = 0.2600, ChiSquare = 2.9906e-01 1.A7 HB2 = 1.08(D), Expected = 1.35, Std = 0.2600, ChiSquare = 2.9906e-01 1.A7 HB3 = 1.08(D), Expected = 1.35, Std = 0.2600, ChiSquare = 2.9906e-01 1.L8 H = 7.78(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.8874e-01 1.L8 HA = 3.88(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.4919e-01 1.L8 HB2 = 0.59(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.6998e-03 1.L8 HB3 = 1.55(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.3359e-01 1.L8 HG = 1.55(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.0352e-01 1.L8 HD11 = 0.62(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.4244e-01 1.L8 HD12 = 0.62(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.4244e-01 1.L8 HD13 = 0.62(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.4244e-01 1.L8 HD21 = 0.82(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.5630e-01 1.L8 HD22 = 0.82(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.5630e-01 1.L8 HD23 = 0.82(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.5630e-01 1.Y9 H = 7.80(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.7626e-01 1.Y9 HA = 4.83(D), Expected = 4.63, Std = 0.5600, ChiSquare = 7.2098e-01 1.Y9 HB2 = 2.06(D), Expected = 2.91, Std = 0.3700, ChiSquare = 2.1602e-02 1.Y9 HB3 = 2.98(D), Expected = 2.84, Std = 0.3900, ChiSquare = 7.1961e-01 1.Y9 HD1 = 7.15(D), Expected = 6.93, Std = 0.3000, ChiSquare = 4.6336e-01 1.Y9 HD2 = 7.15(D), Expected = 6.93, Std = 0.3000, ChiSquare = 4.6336e-01 1.Y9 HE1 = 6.94(D), Expected = 6.70, Std = 0.2300, ChiSquare = 2.9673e-01 1.Y9 HE2 = 6.94(D), Expected = 6.71, Std = 0.2300, ChiSquare = 3.1731e-01 1.C10 H = 7.76(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.4706e-01 1.C10 HA = 3.93(D), Expected = 4.66, Std = 0.5500, ChiSquare = 1.8442e-01 1.C10 HB2 = 2.37(D), Expected = 2.96, Std = 0.4400, ChiSquare = 1.7995e-01 1.C10 HB3 = 4.76(A), Expected = 2.89, Std = 0.4600, ChiSquare = 4.7988e-05 1.I11 H = 10.08(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.1195e-03 1.I11 HA = 4.44(D), Expected = 4.18, Std = 0.5600, ChiSquare = 6.4244e-01 1.I11 HB = 2.22(D), Expected = 1.78, Std = 0.2900, ChiSquare = 1.2921e-01 1.I11 HG12 = 1.57(D), Expected = 1.28, Std = 0.4000, ChiSquare = 4.6845e-01 1.I11 HG13 = 1.79(D), Expected = 1.19, Std = 0.4100, ChiSquare = 1.4335e-01 1.I11 HG21 = 1.27(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.4047e-02 1.I11 HG22 = 1.27(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.4047e-02 1.I11 HG23 = 1.27(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.4047e-02 1.I11 HD11 = 1.05(D), Expected = 0.68, Std = 0.2900, ChiSquare = 2.0200e-01 1.I11 HD12 = 1.05(D), Expected = 0.68, Std = 0.2900, ChiSquare = 2.0200e-01 1.I11 HD13 = 1.05(D), Expected = 0.68, Std = 0.2900, ChiSquare = 2.0200e-01 1.C12 H = 7.59(D), Expected = 8.39, Std = 0.6700, ChiSquare = 2.3247e-01 1.C12 HA = 4.64(D), Expected = 4.66, Std = 0.5500, ChiSquare = 9.7099e-01 1.C12 HB2 = 3.15(D), Expected = 2.96, Std = 0.4400, ChiSquare = 6.6587e-01 1.C12 HB3 = 3.28(D), Expected = 2.89, Std = 0.4600, ChiSquare = 3.9654e-01 1.R13 H = 7.69(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.6725e-01 1.R13 HA = 3.89(D), Expected = 4.30, Std = 0.4600, ChiSquare = 3.7277e-01 1.R13 HB2 = 1.70(D), Expected = 1.79, Std = 0.2700, ChiSquare = 7.3888e-01 1.R13 HB3 = 2.33(D), Expected = 1.76, Std = 0.2800, ChiSquare = 4.1779e-02 1.R13 HG2 = 1.55(D), Expected = 1.57, Std = 0.2700, ChiSquare = 9.4095e-01 1.R13 HG3 = 1.72(D), Expected = 1.54, Std = 0.2900, ChiSquare = 5.3480e-01 1.R13 HD2 = 3.14(D), Expected = 3.12, Std = 0.2400, ChiSquare = 9.3359e-01 1.R13 HD3 = 3.23(D), Expected = 3.10, Std = 0.2600, ChiSquare = 6.1707e-01 1.R13 HE = 6.91(D), Expected = 7.40, Std = 0.6300, ChiSquare = 4.3670e-01 1.Q14 H = 8.11(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.5210e-01 1.Q14 HA = 5.06(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.2581e-02 1.Q14 HB2 = 2.15(D), Expected = 2.05, Std = 0.2500, ChiSquare = 6.8916e-01 1.Q14 HB3 = 2.26(D), Expected = 2.02, Std = 0.2800, ChiSquare = 3.9137e-01 1.Q14 HG2 = 2.49(D), Expected = 2.32, Std = 0.2700, ChiSquare = 5.2894e-01 1.Q14 HG3 = 2.49(D), Expected = 2.29, Std = 0.2900, ChiSquare = 4.9041e-01 1.Q14 HE21 = 7.34(D), Expected = 7.24, Std = 0.4500, ChiSquare = 8.2414e-01 1.Q14 HE22 = 6.84(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.8247e-01 1.P15 HA = 5.25(D), Expected = 4.40, Std = 0.3300, ChiSquare = 1.0002e-02 1.P15 HB2 = 2.50(D), Expected = 2.08, Std = 0.3500, ChiSquare = 2.3014e-01 1.P15 HB3 = 1.89(D), Expected = 2.00, Std = 0.3600, ChiSquare = 7.5994e-01 1.P15 HG2 = 1.85(D), Expected = 1.93, Std = 0.3100, ChiSquare = 7.9636e-01 1.P15 HG3 = 1.98(D), Expected = 1.90, Std = 0.3300, ChiSquare = 8.0845e-01 1.P15 HD2 = 3.56(D), Expected = 3.65, Std = 0.3500, ChiSquare = 7.9707e-01 1.P15 HD3 = 3.69(D), Expected = 3.61, Std = 0.3900, ChiSquare = 8.3747e-01 1.H16 H = 9.80(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.1784e-02 1.H16 HA = 4.47(D), Expected = 4.61, Std = 0.4300, ChiSquare = 7.4474e-01 1.H16 HB2 = 2.97(D), Expected = 3.10, Std = 0.3600, ChiSquare = 7.1802e-01 1.H16 HB3 = 3.20(D), Expected = 3.04, Std = 0.3800, ChiSquare = 6.7372e-01 1.N17 H = 8.45(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.6139e-01 1.N17 HA = 4.17(D), Expected = 4.67, Std = 0.3600, ChiSquare = 1.6487e-01 1.N17 HB2 = 2.42(D), Expected = 2.81, Std = 0.3100, ChiSquare = 2.0837e-01 1.N17 HB3 = 3.05(D), Expected = 2.75, Std = 0.3300, ChiSquare = 3.6330e-01 1.N17 HD21 = 7.28(D), Expected = 7.35, Std = 0.4800, ChiSquare = 8.8405e-01 1.N17 HD22 = 6.92(D), Expected = 7.14, Std = 0.4900, ChiSquare = 6.5345e-01 1.N18 H = 9.01(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.8756e-01 1.N18 HA = 4.21(D), Expected = 4.67, Std = 0.3600, ChiSquare = 2.0133e-01 1.N18 HB2 = 2.91(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.4701e-01 1.N18 HB3 = 3.05(D), Expected = 2.75, Std = 0.3300, ChiSquare = 3.6330e-01 1.N18 HD21 = 7.57(D), Expected = 7.35, Std = 0.4800, ChiSquare = 6.4671e-01 1.N18 HD22 = 6.89(D), Expected = 7.14, Std = 0.4900, ChiSquare = 6.0991e-01 1.R19 H = 7.71(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.8493e-01 1.R19 HA = 4.43(D), Expected = 4.30, Std = 0.4600, ChiSquare = 7.7748e-01 1.R19 HB2 = 2.00(D), Expected = 1.79, Std = 0.2700, ChiSquare = 4.3670e-01 1.R19 HB3 = 2.28(D), Expected = 1.76, Std = 0.2800, ChiSquare = 6.3291e-02 1.R19 HG2 = 1.76(D), Expected = 1.57, Std = 0.2700, ChiSquare = 4.8162e-01 1.R19 HG3 = 1.88(D), Expected = 1.54, Std = 0.2900, ChiSquare = 2.4103e-01 1.R19 HD2 = 2.95(D), Expected = 3.12, Std = 0.2400, ChiSquare = 4.7874e-01 1.R19 HD3 = 3.26(D), Expected = 3.10, Std = 0.2600, ChiSquare = 5.3830e-01 1.R19 HE = 7.29(D), Expected = 7.40, Std = 0.6300, ChiSquare = 8.6139e-01 1.F20 H = 8.68(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.5672e-01 1.F20 HA = 4.51(D), Expected = 4.63, Std = 0.5700, ChiSquare = 8.3326e-01 1.F20 HB2 = 2.92(D), Expected = 3.00, Std = 0.3700, ChiSquare = 8.2882e-01 1.F20 HB3 = 3.40(D), Expected = 2.93, Std = 0.4000, ChiSquare = 2.3999e-01 1.F20 HD1 = 7.25(D), Expected = 7.06, Std = 0.3100, ChiSquare = 5.3994e-01 1.F20 HD2 = 7.25(D), Expected = 7.06, Std = 0.3100, ChiSquare = 5.3994e-01 1.F20 HE1 = 7.16(D), Expected = 7.08, Std = 0.3100, ChiSquare = 7.9636e-01 1.F20 HE2 = 7.16(D), Expected = 7.08, Std = 0.3200, ChiSquare = 8.0259e-01 1.F20 HZ = 7.05(D), Expected = 7.00, Std = 0.4200, ChiSquare = 9.0524e-01 1.M21 H = 7.88(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.2652e-01 1.M21 HA = 5.31(D), Expected = 4.41, Std = 0.4800, ChiSquare = 6.0793e-02 1.M21 HB2 = 1.59(D), Expected = 2.03, Std = 0.3400, ChiSquare = 1.9562e-01 1.M21 HB3 = 1.81(D), Expected = 1.99, Std = 0.3400, ChiSquare = 5.9652e-01 1.M21 HG2 = 2.26(D), Expected = 2.42, Std = 0.3500, ChiSquare = 6.4757e-01 1.M21 HG3 = 2.42(D), Expected = 2.39, Std = 0.3800, ChiSquare = 9.3707e-01 1.M21 HE1 = 0.90(D), Expected = 1.89, Std = 0.4600, ChiSquare = 3.1384e-02 1.M21 HE2 = 0.90(D), Expected = 1.89, Std = 0.4600, ChiSquare = 3.1384e-02 1.M21 HE3 = 0.90(D), Expected = 1.89, Std = 0.4600, ChiSquare = 3.1384e-02 1.I22 H = 9.18(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.8566e-01 1.I22 HA = 4.39(D), Expected = 4.18, Std = 0.5600, ChiSquare = 7.0766e-01 1.I22 HB = 1.17(D), Expected = 1.78, Std = 0.2900, ChiSquare = 3.5427e-02 1.I22 HG12 = 0.64(D), Expected = 1.28, Std = 0.4000, ChiSquare = 1.0960e-01 1.I22 HG13 = 1.25(D), Expected = 1.19, Std = 0.4100, ChiSquare = 8.8365e-01 1.I22 HG21 = 0.29(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.5440e-02 1.I22 HG22 = 0.29(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.5440e-02 1.I22 HG23 = 0.29(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.5440e-02 1.I22 HD11 = 0.53(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.0499e-01 1.I22 HD12 = 0.53(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.0499e-01 1.I22 HD13 = 0.53(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.0499e-01 1.C23 H = 8.00(D), Expected = 8.39, Std = 0.6700, ChiSquare = 5.6051e-01 1.C23 HA = 4.39(D), Expected = 4.66, Std = 0.5500, ChiSquare = 6.2349e-01 1.C23 HB2 = -0.01(S), Expected = 2.96, Std = 0.4400, ChiSquare = 1.4785e-11 1.C23 HB3 = 1.58(D), Expected = 2.89, Std = 0.4600, ChiSquare = 4.4019e-03 1.C23 HG = 0.10(A), Expected = 1.98, Std = 1.3800, ChiSquare = 1.7310e-01 1.C24 H = 8.75(D), Expected = 8.39, Std = 0.6700, ChiSquare = 5.9105e-01 1.C24 HA = 4.55(D), Expected = 4.66, Std = 0.5500, ChiSquare = 8.4148e-01 1.C24 HB2 = 2.82(D), Expected = 2.96, Std = 0.4400, ChiSquare = 7.5035e-01 1.C24 HB3 = 3.68(D), Expected = 2.89, Std = 0.4600, ChiSquare = 8.5908e-02 1.D25 H = 9.39(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.2594e-02 1.D25 HB2 = 2.54(D), Expected = 2.72, Std = 0.2600, ChiSquare = 4.8874e-01 1.D25 HB3 = 2.62(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.8640e-01 1.R26 H = 9.39(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.9397e-02 1.R26 HA = 4.52(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.3246e-01 1.R26 HB2 = 2.08(D), Expected = 1.79, Std = 0.2700, ChiSquare = 2.8279e-01 1.R26 HB3 = 2.17(D), Expected = 1.76, Std = 0.2800, ChiSquare = 1.4312e-01 1.R26 HG2 = 1.63(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.2414e-01 1.R26 HG3 = 1.63(D), Expected = 1.54, Std = 0.2900, ChiSquare = 7.5630e-01 1.R26 HD2 = 3.14(D), Expected = 3.12, Std = 0.2400, ChiSquare = 9.3359e-01 1.R26 HD3 = 3.22(D), Expected = 3.10, Std = 0.2600, ChiSquare = 6.4441e-01 1.R26 HE = 7.33(D), Expected = 7.40, Std = 0.6300, ChiSquare = 9.1153e-01 1.C27 H = 8.55(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.1126e-01 1.C27 HA = 4.77(D), Expected = 4.66, Std = 0.5500, ChiSquare = 8.4148e-01 1.C27 HB2 = 2.68(D), Expected = 2.96, Std = 0.4400, ChiSquare = 5.2454e-01 1.C27 HB3 = 3.23(D), Expected = 2.89, Std = 0.4600, ChiSquare = 4.5983e-01 1.E28 H = 7.66(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.5613e-01 1.E28 HA = 4.18(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.6443e-01 1.E28 HB3 = 2.18(D), Expected = 1.99, Std = 0.2300, ChiSquare = 4.0876e-01 1.E28 HG2 = 1.97(D), Expected = 2.27, Std = 0.2100, ChiSquare = 1.5313e-01 1.E28 HG3 = 2.07(D), Expected = 2.25, Std = 0.2200, ChiSquare = 4.1325e-01 1.E29 H = 8.22(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.5210e-01 1.E29 HA = 4.63(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.5402e-01 1.E29 HB2 = 2.09(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.3888e-01 1.E29 HB3 = 2.21(D), Expected = 1.99, Std = 0.2300, ChiSquare = 3.3881e-01 1.W30 H = 8.25(D), Expected = 8.29, Std = 0.7900, ChiSquare = 9.5962e-01 1.W30 HA = 4.84(D), Expected = 4.68, Std = 0.5300, ChiSquare = 7.6274e-01 1.W30 HB2 = 2.38(D), Expected = 3.19, Std = 0.3500, ChiSquare = 2.0652e-02 1.W30 HB3 = 2.38(D), Expected = 3.12, Std = 0.3600, ChiSquare = 3.9825e-02 1.W30 HD1 = 7.19(D), Expected = 7.14, Std = 0.3600, ChiSquare = 8.8954e-01 1.W30 HE1 = 9.84(D), Expected = 10.08, Std = 0.6600, ChiSquare = 7.1613e-01 1.W30 HE3 = 6.87(D), Expected = 7.31, Std = 0.4100, ChiSquare = 2.8319e-01 1.W30 HZ2 = 7.40(D), Expected = 7.28, Std = 0.3300, ChiSquare = 7.1613e-01 1.W30 HZ3 = 6.66(D), Expected = 6.86, Std = 0.4000, ChiSquare = 6.1707e-01 1.W30 HH2 = 7.07(D), Expected = 6.98, Std = 0.3900, ChiSquare = 8.1749e-01 1.F31 H = 9.21(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.3778e-01 1.F31 HA = 4.58(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.3010e-01 1.F31 HB2 = 2.54(D), Expected = 3.00, Std = 0.3700, ChiSquare = 2.1378e-01 1.F31 HB3 = 3.29(D), Expected = 2.93, Std = 0.4000, ChiSquare = 3.6812e-01 1.F31 HD1 = 7.52(D), Expected = 7.06, Std = 0.3100, ChiSquare = 1.3784e-01 1.F31 HD2 = 7.52(D), Expected = 7.06, Std = 0.3100, ChiSquare = 1.3784e-01 1.F31 HE1 = 7.22(D), Expected = 7.08, Std = 0.3100, ChiSquare = 6.5155e-01 1.F31 HE2 = 7.22(D), Expected = 7.08, Std = 0.3200, ChiSquare = 6.6175e-01 1.F31 HZ = 7.65(D), Expected = 7.00, Std = 0.4200, ChiSquare = 1.2171e-01 1.H32 H = 9.74(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.7392e-02 1.H32 HA = 5.17(D), Expected = 4.61, Std = 0.4300, ChiSquare = 1.9280e-01 1.H32 HB2 = 3.44(D), Expected = 3.10, Std = 0.3600, ChiSquare = 3.4494e-01 1.H32 HB3 = 4.20(D), Expected = 3.04, Std = 0.3800, ChiSquare = 2.2684e-03 1.G33 H = 9.09(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.4231e-01 1.G33 HA2 = 3.65(D), Expected = 3.97, Std = 0.3700, ChiSquare = 3.8711e-01 1.G33 HA3 = 4.24(D), Expected = 3.90, Std = 0.3700, ChiSquare = 3.5814e-01 1.D34 H = 9.11(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.6780e-01 1.D34 HA = 4.40(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.5268e-01 1.D34 HB2 = 2.70(D), Expected = 2.72, Std = 0.2600, ChiSquare = 9.3868e-01 1.D34 HB3 = 2.84(D), Expected = 2.66, Std = 0.2800, ChiSquare = 5.2032e-01 1.C35 H = 7.66(D), Expected = 8.39, Std = 0.6700, ChiSquare = 2.7591e-01 1.C35 HA = 4.23(D), Expected = 4.66, Std = 0.5500, ChiSquare = 4.3432e-01 1.C35 HB2 = 3.15(D), Expected = 2.96, Std = 0.4400, ChiSquare = 6.6587e-01 1.C35 HB3 = 3.46(D), Expected = 2.89, Std = 0.4600, ChiSquare = 2.1530e-01 1.V36 H = 7.36(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.6512e-01 1.V36 HA = 4.63(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.4808e-01 1.V36 HB = 2.55(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.4872e-02 1.V36 HG11 = 0.82(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.6932e-01 1.V36 HG12 = 0.82(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.6932e-01 1.V36 HG13 = 0.82(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.6932e-01 1.V36 HG21 = 0.87(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.0259e-01 1.V36 HG22 = 0.87(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.0259e-01 1.V36 HG23 = 0.87(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.0259e-01 1.G37 H = 7.67(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.0992e-01 1.G37 HA2 = 3.90(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.4994e-01 1.G37 HA3 = 4.09(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.0759e-01 1.I38 H = 8.51(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.3519e-01 1.I38 HA = 4.34(D), Expected = 4.18, Std = 0.5600, ChiSquare = 7.7510e-01 1.I38 HB = 1.69(D), Expected = 1.78, Std = 0.2900, ChiSquare = 7.5630e-01 1.I38 HG12 = 1.21(D), Expected = 1.28, Std = 0.4000, ChiSquare = 8.6108e-01 1.I38 HG13 = 1.21(D), Expected = 1.19, Std = 0.4100, ChiSquare = 9.6109e-01 1.I38 HG21 = 0.82(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.5308e-01 1.I38 HG22 = 0.82(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.5308e-01 1.I38 HG23 = 0.82(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.5308e-01 1.I38 HD11 = 0.74(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.3609e-01 1.I38 HD12 = 0.74(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.3609e-01 1.I38 HD13 = 0.74(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.3609e-01 1.S39 H = 8.01(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.4722e-01 1.S39 HA = 4.45(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.4021e-01 1.S39 HB2 = 3.95(D), Expected = 3.88, Std = 0.2500, ChiSquare = 7.7948e-01 1.S39 HB3 = 4.21(D), Expected = 3.85, Std = 0.2700, ChiSquare = 1.8242e-01 1.E40 H = 8.66(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.7594e-01 1.E40 HA = 2.62(S), Expected = 4.25, Std = 0.4100, ChiSquare = 7.0199e-05 1.E40 HB2 = 1.55(D), Expected = 2.02, Std = 0.2100, ChiSquare = 2.5215e-02 1.E40 HB3 = 1.67(D), Expected = 1.99, Std = 0.2300, ChiSquare = 1.6413e-01 1.E40 HG2 = 1.84(D), Expected = 2.27, Std = 0.2100, ChiSquare = 4.0597e-02 1.E40 HG3 = 1.84(D), Expected = 2.25, Std = 0.2200, ChiSquare = 6.2373e-02 1.A41 H = 8.12(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.9393e-01 1.A41 HA = 3.94(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.6706e-01 1.A41 HB1 = 1.31(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.7773e-01 1.A41 HB2 = 1.31(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.7773e-01 1.A41 HB3 = 1.31(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.7773e-01 1.R42 H = 7.84(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.1199e-01 1.R42 HA = 4.10(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.6372e-01 1.R42 HB2 = 1.86(D), Expected = 1.79, Std = 0.2700, ChiSquare = 7.9544e-01 1.R42 HB3 = 2.01(D), Expected = 1.76, Std = 0.2800, ChiSquare = 3.7193e-01 1.R42 HG2 = 1.66(D), Expected = 1.57, Std = 0.2700, ChiSquare = 7.3888e-01 1.R42 HG3 = 1.73(D), Expected = 1.54, Std = 0.2900, ChiSquare = 5.1236e-01 1.R42 HD2 = 3.24(D), Expected = 3.12, Std = 0.2400, ChiSquare = 6.1707e-01 1.R42 HD3 = 3.32(D), Expected = 3.10, Std = 0.2600, ChiSquare = 3.9747e-01 1.G43 H = 8.84(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.3268e-01 1.G43 HA2 = 3.72(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.9925e-01 1.G43 HA3 = 3.77(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.2532e-01 1.R44 H = 8.24(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.0000e+00 1.R44 HA = 4.24(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.9622e-01 1.R44 HB2 = 1.85(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.2414e-01 1.R44 HB3 = 1.89(D), Expected = 1.76, Std = 0.2800, ChiSquare = 6.4244e-01 1.R44 HG2 = 1.75(D), Expected = 1.57, Std = 0.2700, ChiSquare = 5.0499e-01 1.R44 HG3 = 1.75(D), Expected = 1.54, Std = 0.2900, ChiSquare = 4.6898e-01 1.R44 HD2 = 3.16(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.6763e-01 1.R44 HD3 = 3.24(D), Expected = 3.10, Std = 0.2600, ChiSquare = 5.9026e-01 1.R44 HE = 7.45(D), Expected = 7.40, Std = 0.6300, ChiSquare = 9.3674e-01 1.L45 H = 7.61(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.4016e-01 1.L45 HA = 4.14(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.0174e-01 1.L45 HB2 = 1.78(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.1707e-01 1.L45 HG = 1.69(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.8544e-01 1.L45 HD11 = 0.87(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6823e-01 1.L45 HD12 = 0.87(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6823e-01 1.L45 HD13 = 0.87(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6823e-01 1.L45 HD21 = 0.92(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.1236e-01 1.L45 HD22 = 0.92(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.1236e-01 1.L45 HD23 = 0.92(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.1236e-01 1.L46 H = 8.15(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.0205e-01 1.L46 HA = 4.11(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.5501e-01 1.L46 HB2 = 1.67(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.5992e-01 1.L46 HB3 = 1.95(D), Expected = 1.52, Std = 0.3600, ChiSquare = 2.3230e-01 1.L46 HG = 1.87(D), Expected = 1.51, Std = 0.3300, ChiSquare = 2.7531e-01 1.L46 HD11 = 0.86(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.9442e-01 1.L46 HD12 = 0.86(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.9442e-01 1.L46 HD13 = 0.86(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.9442e-01 1.L46 HD21 = 0.92(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.1236e-01 1.L46 HD22 = 0.92(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.1236e-01 1.L46 HD23 = 0.92(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.1236e-01 1.E47 H = 7.80(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.6902e-01 1.E47 HA = 4.19(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.8365e-01 1.E47 HB2 = 2.17(D), Expected = 2.02, Std = 0.2100, ChiSquare = 4.7505e-01 1.E47 HB3 = 2.24(D), Expected = 1.99, Std = 0.2300, ChiSquare = 2.7706e-01 1.E47 HG2 = 2.27(D), Expected = 2.27, Std = 0.2100, ChiSquare = 1.0000e+00 1.E47 HG3 = 2.47(D), Expected = 2.25, Std = 0.2200, ChiSquare = 3.1731e-01 1.R48 H = 8.25(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.8692e-01 1.R48 HA = 4.16(D), Expected = 4.30, Std = 0.4600, ChiSquare = 7.6086e-01 1.R48 HB2 = 1.97(D), Expected = 1.79, Std = 0.2700, ChiSquare = 5.0499e-01 1.R48 HB3 = 1.97(D), Expected = 1.76, Std = 0.2800, ChiSquare = 4.5325e-01 1.R48 HG3 = 1.78(D), Expected = 1.54, Std = 0.2900, ChiSquare = 4.0791e-01 1.R48 HD2 = 3.22(D), Expected = 3.12, Std = 0.2400, ChiSquare = 6.7692e-01 1.R48 HD3 = 3.22(D), Expected = 3.10, Std = 0.2600, ChiSquare = 6.4441e-01 1.R48 HE = 7.25(D), Expected = 7.40, Std = 0.6300, ChiSquare = 8.1181e-01 1.N49 H = 8.28(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.2413e-01 1.N49 HA = 4.74(D), Expected = 4.67, Std = 0.3600, ChiSquare = 8.4583e-01 1.N49 HB2 = 2.90(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.7157e-01 1.N49 HB3 = 2.98(D), Expected = 2.75, Std = 0.3300, ChiSquare = 4.8582e-01 1.N49 HD21 = 7.62(D), Expected = 7.35, Std = 0.4800, ChiSquare = 5.7378e-01 1.N49 HD22 = 6.75(D), Expected = 7.14, Std = 0.4900, ChiSquare = 4.2608e-01 1.G50 H = 8.06(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.7786e-01 1.G50 HA2 = 3.96(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.7844e-01 1.G50 HA3 = 3.96(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.7118e-01 1.E51 H = 8.18(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.9931e-01 1.E51 HA = 4.36(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.8847e-01 1.E51 HB2 = 1.94(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.0324e-01 1.E51 HB3 = 2.05(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.9419e-01 1.E51 HG2 = 2.21(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.7510e-01 1.E51 HG3 = 2.21(D), Expected = 2.25, Std = 0.2200, ChiSquare = 8.5573e-01 1.D52 H = 8.35(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.4502e-01 1.D52 HA = 4.65(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.5127e-01 1.D52 HB2 = 2.48(D), Expected = 2.72, Std = 0.2600, ChiSquare = 3.5597e-01 1.D52 HB3 = 2.48(D), Expected = 2.66, Std = 0.2800, ChiSquare = 5.2032e-01 1.Y53 H = 9.20(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.2802e-01 1.Y53 HA = 4.49(D), Expected = 4.63, Std = 0.5600, ChiSquare = 8.0259e-01 1.Y53 HB2 = 2.85(D), Expected = 2.91, Std = 0.3700, ChiSquare = 8.7118e-01 1.Y53 HB3 = 2.85(D), Expected = 2.84, Std = 0.3900, ChiSquare = 9.7954e-01 1.Y53 HD1 = 6.75(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.4851e-01 1.Y53 HD2 = 6.75(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.4851e-01 1.Y53 HE1 = 6.29(D), Expected = 6.70, Std = 0.2300, ChiSquare = 7.4650e-02 1.Y53 HE2 = 6.29(D), Expected = 6.71, Std = 0.2300, ChiSquare = 6.7837e-02 1.I54 H = 6.79(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.8439e-02 1.I54 HA = 4.65(D), Expected = 4.18, Std = 0.5600, ChiSquare = 4.0131e-01 1.I54 HB = 1.47(D), Expected = 1.78, Std = 0.2900, ChiSquare = 2.8509e-01 1.I54 HG12 = 0.97(D), Expected = 1.28, Std = 0.4000, ChiSquare = 4.3834e-01 1.I54 HG13 = 1.28(D), Expected = 1.19, Std = 0.4100, ChiSquare = 8.2625e-01 1.I54 HG21 = 0.66(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.8371e-01 1.I54 HG22 = 0.66(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.8371e-01 1.I54 HG23 = 0.66(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.8371e-01 1.I54 HD11 = 0.72(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.9030e-01 1.I54 HD12 = 0.72(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.9030e-01 1.I54 HD13 = 0.72(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.9030e-01 1.C55 H = 9.07(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.1014e-01 1.C55 HA = 4.32(D), Expected = 4.66, Std = 0.5500, ChiSquare = 5.3646e-01 1.C55 HB2 = 2.12(D), Expected = 2.96, Std = 0.4400, ChiSquare = 5.6250e-02 1.C55 HB3 = 2.37(D), Expected = 2.89, Std = 0.4600, ChiSquare = 2.5829e-01 1.P56 HA = 4.20(D), Expected = 4.40, Std = 0.3300, ChiSquare = 5.4447e-01 1.P56 HB2 = 2.43(D), Expected = 2.08, Std = 0.3500, ChiSquare = 3.1731e-01 1.P56 HB3 = 1.75(D), Expected = 2.00, Std = 0.3600, ChiSquare = 4.8740e-01 1.P56 HG2 = 1.94(D), Expected = 1.93, Std = 0.3100, ChiSquare = 9.7427e-01 1.P56 HG3 = 1.94(D), Expected = 1.90, Std = 0.3300, ChiSquare = 9.0352e-01 1.P56 HD2 = 3.01(D), Expected = 3.65, Std = 0.3500, ChiSquare = 6.7464e-02 1.P56 HD3 = 3.77(D), Expected = 3.61, Std = 0.3900, ChiSquare = 6.8162e-01 1.N57 H = 8.37(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.6202e-01 1.N57 HA = 4.57(D), Expected = 4.67, Std = 0.3600, ChiSquare = 7.8118e-01 1.N57 HB2 = 2.85(D), Expected = 2.81, Std = 0.3100, ChiSquare = 8.9733e-01 1.N57 HB3 = 3.06(D), Expected = 2.75, Std = 0.3300, ChiSquare = 3.4753e-01 1.N57 HD21 = 8.11(D), Expected = 7.35, Std = 0.4800, ChiSquare = 1.1335e-01 1.N57 HD22 = 6.99(D), Expected = 7.14, Std = 0.4900, ChiSquare = 7.5951e-01 1.C58 H = 8.30(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.9314e-01 1.C58 HA = 4.03(D), Expected = 4.66, Std = 0.5500, ChiSquare = 2.5202e-01 1.C58 HB2 = 2.77(D), Expected = 2.96, Std = 0.4400, ChiSquare = 6.6587e-01 1.C58 HB3 = 2.82(D), Expected = 2.89, Std = 0.4600, ChiSquare = 8.7905e-01 1.T59 H = 7.60(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.0195e-01 1.T59 HA = 3.86(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.1130e-01 1.T59 HB = 4.04(D), Expected = 4.17, Std = 0.3300, ChiSquare = 6.9363e-01 1.T59 HG21 = 1.10(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.6193e-01 1.T59 HG22 = 1.10(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.6193e-01 1.T59 HG23 = 1.10(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.6193e-01 1.I60 H = 7.48(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.3941e-01 1.I60 HA = 4.21(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.5728e-01 1.I60 HB = 1.95(D), Expected = 1.78, Std = 0.2900, ChiSquare = 5.5774e-01 1.I60 HG12 = 1.17(D), Expected = 1.28, Std = 0.4000, ChiSquare = 7.8332e-01 1.I60 HG13 = 1.40(D), Expected = 1.19, Std = 0.4100, ChiSquare = 6.0851e-01 1.I60 HG21 = 0.90(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.3017e-01 1.I60 HG22 = 0.90(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.3017e-01 1.I60 HG23 = 0.90(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.3017e-01 1.I60 HD11 = 0.86(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.3480e-01 1.I60 HD12 = 0.86(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.3480e-01 1.I60 HD13 = 0.86(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.3480e-01 1.L61 H = 7.57(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.0992e-01 1.L61 HA = 4.14(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.0174e-01 1.L61 HB2 = 1.53(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.1398e-01 1.L61 HB3 = 1.61(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.0259e-01 1.L61 HD11 = 0.84(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.4789e-01 1.L61 HD12 = 0.84(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.4789e-01 1.L61 HD13 = 0.84(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.4789e-01 1.L61 HD21 = 0.89(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.8114e-01 1.L61 HD22 = 0.89(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.8114e-01 1.L61 HD23 = 0.89(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.8114e-01