G1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.36 L 0.27 K 0.07 C 0.07 D 0.06 F 0.05 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> CA :: 43.03(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.90(D) HA3 :: 3.90(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) S2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> F 0.13 Y 0.12 S 0.11 C 0.1 E 0.09 R 0.07 K 0.07 Q 0.06 H 0.05 M 0.04 L 0.03 I 0.02 V 0.02 T 0.01 D 0.01 C Shift Assignments>> CA :: 58.23(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.66(D) HA :: 4.47(D) HB2 :: 3.84(D) HB3 :: 3.84(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) H3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 H 0.09 D 0.09 Q 0.08 C 0.07 K 0.07 R 0.07 E 0.05 Y 0.04 N 0.04 F 0.04 A 0.03 S 0.01 C Shift Assignments>> C :: 174.48(D) CA :: 55.40(D) Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.68(D) HA :: 4.45(D) HB2 :: 3.12(D) HB3 :: 3.22(D) Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.43(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) M4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 M 0.1 D 0.1 H 0.09 Q 0.08 C 0.07 K 0.07 R 0.07 E 0.04 N 0.04 Y 0.04 A 0.04 F 0.04 S 0.01 HN Overlap>> L20 C Shift Assignments>> C :: 175.80(D) CA :: 55.32(D) Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.41(D) HA :: 4.47(D) HE :: 2.07(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.44(D) Ave N Shift Values>> N :: 120.1(3.88) Q5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.11 H 0.1 Q 0.08 C 0.08 K 0.08 R 0.07 D 0.07 E 0.05 Y 0.04 F 0.04 N 0.03 A 0.02 S 0.02 C Shift Assignments>> C :: 175.21(D) CA :: 55.68(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.41(D) HA :: 4.30(D) HB2 :: 2.19(D) HB3 :: 2.02(D) HG2 :: 2.37(D) HG3 :: 2.37(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.90(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.3 N 0.24 D 0.12 C 0.05 L 0.05 M 0.04 H 0.03 P 0.03 R 0.02 Q 0.02 K 0.01 Y 0.01 F 0.01 C Shift Assignments>> C :: 177.55(D) CA :: 52.20(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.33(D) HA :: 4.36(D) HB :: 1.33(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.30(D) Ave N Shift Values>> N :: 123.23(3.7) L7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 L 0.11 N 0.09 M 0.08 A 0.08 H 0.08 C 0.07 Q 0.06 R 0.05 K 0.05 E 0.03 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> C :: 177.43(D) CA :: 54.61(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.25(D) HA :: 4.43(D) HB2 :: 1.71(D) HB3 :: 1.66(D) HG :: 1.60(D) HD1 :: 0.81(D) HD2 :: 0.81(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.70(D) Ave N Shift Values>> N :: 121.98(4.07) S8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.1 E 0.1 R 0.1 K 0.09 Y 0.08 Q 0.08 F 0.08 H 0.07 M 0.07 S 0.06 L 0.05 D 0.02 I 0.01 HN Overlap>> N28 C Shift Assignments>> C :: 174.80(D) CA :: 57.28(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.29(D) HA :: 4.57(D) HB2 :: 4.33(D) HB3 :: 4.00(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.93(D) Ave N Shift Values>> N :: 116.3(3.95) Y9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.24 T 0.22 I 0.18 P 0.14 S 0.09 C 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 176.67(D) CA :: 62.42(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.12(D) HA :: 3.97(D) HB2 :: 2.90(D) HB3 :: 3.05(D) HD1 :: 6.94(D) HD2 :: 6.94(D) HE1 :: 6.66(D) HE2 :: 6.66(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.77(D) Ave N Shift Values>> N :: 120.79(4.69) R10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.12 F 0.12 S 0.11 Y 0.1 C 0.1 T 0.09 V 0.09 E 0.05 R 0.04 K 0.03 H 0.03 Q 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 178.03(D) CA :: 59.94(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.68(D) HA :: 3.59(D) HB2 :: 1.70(D) HB3 :: 1.82(D) HG2 :: 1.46(D) HG3 :: 1.39(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.71(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 F 0.12 Y 0.11 C 0.1 I 0.07 E 0.07 R 0.06 V 0.05 T 0.05 K 0.05 H 0.04 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 178.74(D) CA :: 59.30(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.80(D) HA :: 3.85(D) HB2 :: 2.01(D) HB3 :: 2.26(D) HG2 :: 2.34(D) HG3 :: 2.34(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.93(D) Ave N Shift Values>> N :: 120.68(3.68) A12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.13 L 0.12 M 0.09 H 0.09 C 0.07 Q 0.07 R 0.06 N 0.06 K 0.06 A 0.05 E 0.04 Y 0.04 F 0.03 S 0.01 C Shift Assignments>> C :: 176.73(D) CA :: 55.00(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.35(D) HA :: 3.94(D) HB :: 1.35(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.15(D) Ave N Shift Values>> N :: 123.23(3.7) V13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> V 0.37 T 0.21 I 0.15 S 0.14 P 0.08 C 0.01 C Shift Assignments>> C :: 177.45(D) CA :: 66.70(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.92(D) HA :: 3.12(D) HB :: 1.85(D) HG1 :: -0.11(S) HG2 :: 0.46(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.19(D) Ave N Shift Values>> N :: 121.02(4.96) L14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.13 S 0.12 Y 0.12 C 0.1 E 0.08 R 0.07 K 0.06 Q 0.05 H 0.05 M 0.04 I 0.03 L 0.02 V 0.02 T 0.02 C Shift Assignments>> C :: 180.64(D) CA :: 58.42(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.43(D) HA :: 3.79(D) HB2 :: 1.92(D) HB3 :: 1.46(D) HG :: 1.69(D) HD1 :: 0.79(D) HD2 :: 0.79(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.35(D) Ave N Shift Values>> N :: 121.98(4.07) R15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.14 F 0.13 Y 0.11 C 0.1 E 0.08 R 0.06 K 0.06 Q 0.05 H 0.04 I 0.04 M 0.04 V 0.03 T 0.03 L 0.02 C Shift Assignments>> C :: 178.83(D) CA :: 58.72(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.02(D) HA :: 4.20(D) HB2 :: 1.96(D) HB3 :: 1.96(D) HG2 :: 1.86(D) HG3 :: 1.86(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.65(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.13 L 0.12 M 0.09 H 0.09 C 0.07 Q 0.07 R 0.06 N 0.06 K 0.06 A 0.05 E 0.04 Y 0.04 F 0.03 S 0.01 C Shift Assignments>> C :: 179.44(D) CA :: 55.00(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.78(D) HA :: 4.11(D) HB :: 1.53(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.60(D) Ave N Shift Values>> N :: 123.23(3.7) V17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.37 T 0.23 I 0.14 S 0.13 P 0.07 C 0.01 C Shift Assignments>> C :: 178.14(D) CA :: 66.82(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.27(D) HA :: 3.52(D) HB :: 2.31(D) HG1 :: 0.93(D) HG2 :: 0.84(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.92(D) Ave N Shift Values>> N :: 121.02(4.96) D18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.11 C 0.11 R 0.09 Y 0.09 K 0.09 F 0.08 Q 0.08 H 0.07 M 0.06 S 0.06 L 0.04 D 0.01 I 0.01 V 0.01 C Shift Assignments>> C :: 179.43(D) CA :: 57.42(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.76(D) HA :: 4.69(D) HB2 :: 2.79(D) HB3 :: 2.99(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.18(D) Ave N Shift Values>> N :: 120.73(4.2) R19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.14 F 0.13 Y 0.11 C 0.1 E 0.08 R 0.06 K 0.05 I 0.05 Q 0.04 H 0.04 M 0.03 V 0.03 T 0.03 L 0.02 C Shift Assignments>> C :: 178.90(D) CA :: 58.90(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.05(D) HA :: 4.14(D) HB2 :: 2.03(D) HB3 :: 2.03(D) HG2 :: 1.72(D) HG3 :: 1.89(D) HD2 :: 3.24(D) HD3 :: 3.24(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.75(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.12 F 0.12 C 0.1 S 0.1 E 0.09 R 0.08 K 0.07 Q 0.06 H 0.05 M 0.05 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 HN Overlap>> M4 C Shift Assignments>> C :: 180.71(D) CA :: 58.13(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.45(D) HA :: 4.00(D) HB2 :: 1.90(D) HB3 :: 1.77(D) HD1 :: 0.81(D) HD2 :: 0.81(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.50(D) Ave N Shift Values>> N :: 121.98(4.07) N21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.1 L 0.1 Q 0.09 K 0.08 R 0.08 C 0.08 E 0.06 Y 0.05 D 0.05 F 0.05 S 0.02 N 0.02 A 0.01 C Shift Assignments>> C :: 177.44(D) CA :: 56.10(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.25(D) HA :: 4.59(D) HB2 :: 2.73(D) HB3 :: 3.21(D) HD21 :: 8.56(D) HD22 :: 8.29(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.67(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.14 F 0.13 Y 0.11 C 0.1 E 0.08 R 0.06 K 0.05 I 0.05 Q 0.04 H 0.04 M 0.03 V 0.03 T 0.03 L 0.02 C Shift Assignments>> C :: 178.13(D) CA :: 58.86(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.19(D) HA :: 4.06(D) HB2 :: 2.20(D) HB3 :: 2.31(D) HG2 :: 2.47(D) HG3 :: 2.47(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.52(D) Ave N Shift Values>> N :: 120.68(3.68) Q23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 M 0.1 D 0.1 H 0.09 Q 0.08 C 0.07 K 0.07 R 0.07 E 0.04 N 0.04 Y 0.04 A 0.04 F 0.04 S 0.01 C Shift Assignments>> C :: 175.59(D) CA :: 55.31(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.55(D) HA :: 4.42(D) HB2 :: 2.02(D) HB3 :: 2.27(D) HG2 :: 2.46(D) HG3 :: 2.55(D) HE21 :: 7.49(D) HE22 :: 6.85(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.39(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.11 C 0.11 R 0.09 Y 0.09 K 0.09 F 0.08 Q 0.08 H 0.07 M 0.06 S 0.06 L 0.04 D 0.01 I 0.01 V 0.01 C Shift Assignments>> CA :: 57.42(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.33(D) HA :: 4.49(D) HB2 :: 4.20(D) HB3 :: 4.09(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.08(D) Ave N Shift Values>> N :: 116.3(3.95) S25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.1 E 0.1 R 0.1 K 0.09 Q 0.08 Y 0.08 F 0.08 H 0.08 M 0.07 S 0.06 L 0.05 D 0.02 I 0.01 C Shift Assignments>> C :: 175.28(D) CA :: 57.25(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.69(D) HA :: 4.73(D) HB2 :: 4.00(D) HB3 :: 3.91(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.33(D) Ave N Shift Values>> N :: 116.3(3.95) E26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.11 Q 0.1 L 0.09 K 0.09 R 0.08 C 0.08 E 0.06 Y 0.05 F 0.05 D 0.05 S 0.03 N 0.01 A 0.01 HN Overlap>> L95 C Shift Assignments>> C :: 174.20(D) CA :: 56.20(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.37(D) HA :: 4.37(D) HB2 :: 1.91(D) HB3 :: 2.36(D) HG2 :: 2.71(D) HG3 :: 2.71(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.75(D) Ave N Shift Values>> N :: 120.68(3.68) A27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.14 L 0.12 M 0.09 H 0.08 N 0.07 C 0.07 Q 0.07 A 0.06 R 0.06 K 0.06 E 0.04 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> C :: 178.00(D) CA :: 54.87(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.67(D) HA :: 4.16(D) HB :: 1.47(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.12(D) Ave N Shift Values>> N :: 123.23(3.7) N28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.3 N 0.24 D 0.12 C 0.05 L 0.05 P 0.04 M 0.04 H 0.03 R 0.02 Q 0.01 K 0.01 Y 0.01 F 0.01 HN Overlap>> S8 C Shift Assignments>> C :: 175.00(D) CA :: 52.07(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.39(D) HA :: 5.33(D) HB2 :: 2.66(D) HB3 :: 2.82(D) HD21 :: 7.99(D) HD22 :: 6.65(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.97(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.14 L 0.12 M 0.09 H 0.08 N 0.07 C 0.07 Q 0.07 A 0.06 R 0.06 K 0.06 E 0.04 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> C :: 177.91(D) CA :: 54.88(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.31(D) HA :: 3.93(D) HB2 :: 1.55(D) HB3 :: 1.32(D) HD1 :: 0.93(D) HD2 :: 0.91(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.60(D) Ave N Shift Values>> N :: 121.98(4.07) Y30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 F 0.13 Y 0.12 C 0.1 E 0.08 R 0.07 K 0.06 Q 0.05 H 0.05 M 0.04 I 0.03 L 0.02 V 0.02 T 0.02 C Shift Assignments>> C :: 174.61(D) CA :: 58.49(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.62(D) HA :: 4.90(D) HB2 :: 2.95(D) HB3 :: 2.54(D) HD1 :: 7.01(D) HD2 :: 7.01(D) HE1 :: 6.64(D) HE2 :: 6.64(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 126.27(D) Ave N Shift Values>> N :: 120.79(4.69) R31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.23 A 0.22 D 0.14 L 0.07 C 0.05 M 0.05 H 0.05 Q 0.03 R 0.03 K 0.02 Y 0.01 F 0.01 E 0.01 C Shift Assignments>> C :: 175.15(D) CA :: 53.35(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.58(D) HA :: 4.83(D) HB2 :: 1.48(D) HB3 :: 1.43(D) HG2 :: 1.49(D) HG3 :: 1.49(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.79(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.1 C 0.1 K 0.1 E 0.09 Q 0.09 H 0.08 Y 0.08 M 0.07 F 0.07 L 0.05 S 0.05 D 0.02 I 0.01 C Shift Assignments>> C :: 174.05(D) CA :: 57.10(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.89(D) HA :: 4.24(D) HB2 :: 1.90(D) HB3 :: 1.27(D) HD1 :: 0.81(D) HD2 :: 0.76(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.13(D) Ave N Shift Values>> N :: 121.98(4.07) L33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 M 0.11 H 0.1 Q 0.09 K 0.08 R 0.08 C 0.08 D 0.07 E 0.05 Y 0.05 F 0.04 N 0.02 A 0.02 S 0.02 C Shift Assignments>> C :: 175.62(D) CA :: 55.80(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.43(D) HA :: 4.84(D) HB2 :: 1.96(D) HB3 :: 1.05(D) HG :: 1.36(D) HD1 :: 0.74(D) HD2 :: 0.38(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 131.26(D) Ave N Shift Values>> N :: 121.98(4.07) E34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 D 0.1 M 0.1 H 0.09 Q 0.07 C 0.07 R 0.07 K 0.07 N 0.05 E 0.04 A 0.04 Y 0.04 F 0.04 S 0.01 C Shift Assignments>> C :: 173.59(D) CA :: 55.25(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.69(D) HA :: 4.66(D) HB2 :: 2.01(D) HB3 :: 1.90(D) HG2 :: 2.17(D) HG3 :: 2.17(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.36(D) Ave N Shift Values>> N :: 120.68(3.68) L35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 N 0.15 A 0.13 L 0.09 M 0.07 H 0.06 C 0.06 Q 0.04 R 0.04 K 0.04 Y 0.02 F 0.02 E 0.02 C Shift Assignments>> C :: 175.09(D) CA :: 54.04(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.68(D) HA :: 4.87(D) HB2 :: 1.93(D) HB3 :: 1.53(D) HG :: 1.76(D) HD1 :: 1.09(D) HD2 :: 0.90(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.05(D) Ave N Shift Values>> N :: 121.98(4.07) D36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.17 D 0.16 A 0.15 L 0.09 M 0.07 H 0.06 C 0.06 Q 0.04 R 0.04 K 0.04 Y 0.02 F 0.02 E 0.02 C Shift Assignments>> C :: 175.79(D) CA :: 53.90(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.58(D) HA :: 4.82(D) HB2 :: 2.76(D) HB3 :: 2.79(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.84(D) Ave N Shift Values>> N :: 120.73(4.2) Q37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.11 H 0.1 Q 0.08 D 0.08 C 0.08 K 0.07 R 0.07 E 0.05 Y 0.04 F 0.04 N 0.03 A 0.03 S 0.02 C Shift Assignments>> CA :: 55.60(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.64(D) HA :: 4.58(D) HB2 :: 2.00(D) HB3 :: 2.00(D) HG2 :: 2.30(D) HG3 :: 2.36(D) HE21 :: 7.65(D) HE22 :: 6.87(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.80(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> I 0.23 T 0.19 V 0.18 F 0.07 C 0.06 Y 0.05 P 0.05 S 0.05 E 0.02 R 0.01 K 0.01 H 0.01 C Shift Assignments>> CA :: 61.27(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.74(D) HB2 :: 1.81(D) HB3 :: 2.16(D) HG2 :: 1.62(D) HG3 :: 1.62(D) HD2 :: 3.83(D) HD3 :: 3.22(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) P39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.22 T 0.2 P 0.18 I 0.16 S 0.13 C 0.02 F 0.02 Y 0.01 C Shift Assignments>> C :: 176.60(D) CA :: 62.80(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.37(D) HB2 :: 1.83(D) HB3 :: 2.31(D) HG2 :: 2.01(D) HG3 :: 2.01(D) HD2 :: 3.76(D) HD3 :: 3.53(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) K40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.11 Q 0.1 M 0.1 K 0.09 R 0.09 C 0.08 L 0.08 E 0.07 Y 0.06 F 0.05 D 0.04 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 180.40(D) CA :: 56.40(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.43(D) HA :: 4.09(D) HB2 :: 1.82(D) HB3 :: 1.82(D) HG2 :: 1.39(D) HG3 :: 1.39(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.41(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.23 A 0.22 D 0.14 L 0.07 C 0.05 M 0.05 H 0.05 Q 0.03 R 0.03 K 0.03 Y 0.01 F 0.01 E 0.01 C Shift Assignments>> C :: 176.53(D) CA :: 53.38(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.90(D) HA :: 3.97(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.68(D) Ave N Shift Values>> N :: 123.23(3.7) D42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.18 A 0.16 D 0.16 L 0.08 M 0.06 C 0.06 H 0.06 Q 0.04 R 0.04 K 0.03 Y 0.02 F 0.02 E 0.02 C Shift Assignments>> C :: 176.32(D) CA :: 53.80(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.14(D) HA :: 4.69(D) HB2 :: 2.56(D) HB3 :: 2.78(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.37(D) Ave N Shift Values>> N :: 120.73(4.2) E43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.11 H 0.1 Q 0.08 C 0.08 K 0.08 R 0.07 D 0.07 E 0.05 Y 0.04 F 0.04 N 0.03 A 0.02 S 0.02 HN Overlap>> Q90 C Shift Assignments>> C :: 175.73(D) CA :: 55.67(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.92(D) HA :: 4.30(D) HB2 :: 1.90(D) HB3 :: 2.14(D) HG2 :: 2.21(D) HG3 :: 2.21(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.31(D) Ave N Shift Values>> N :: 120.68(3.68) D44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.27 N 0.24 D 0.13 L 0.06 C 0.05 M 0.05 H 0.04 R 0.02 Q 0.02 K 0.02 Y 0.01 F 0.01 E 0.01 C Shift Assignments>> CA :: 52.90(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.58(D) HA :: 4.65(D) HB2 :: 2.61(D) HB3 :: 2.90(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.84(D) Ave N Shift Values>> N :: 120.73(4.2) P45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.27 V 0.2 P 0.2 T 0.15 I 0.12 C 0.01 C Shift Assignments>> C :: 177.08(D) CA :: 64.30(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.32(D) HB2 :: 1.94(D) HB3 :: 2.23(D) HG2 :: 2.40(D) HG3 :: 2.40(D) HD2 :: 3.83(D) HD3 :: 3.83(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) G46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.76 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 174.51(D) CA :: 45.25(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.68(D) HA2 :: 4.20(D) HA3 :: 3.78(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.70(D) Ave N Shift Values>> N :: 109.91(4.29) T47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 F 0.12 Y 0.11 C 0.1 I 0.07 E 0.07 R 0.06 V 0.05 T 0.05 K 0.05 H 0.04 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> CA :: 59.30(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.57(D) HA :: 4.69(D) HB :: 4.17(D) HG2 :: 1.30(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.84(D) Ave N Shift Values>> N :: 115.7(5.05) P48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.23 V 0.2 T 0.17 S 0.17 I 0.14 C 0.02 F 0.01 Y 0.01 C Shift Assignments>> C :: 176.36(D) CA :: 63.18(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.56(D) HB2 :: 1.80(D) HB3 :: 2.22(D) HG2 :: 1.93(D) HG3 :: 2.11(D) HD2 :: 4.04(D) HD3 :: 3.72(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) K49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.27 N 0.24 D 0.13 L 0.06 C 0.05 M 0.05 H 0.04 R 0.02 Q 0.02 K 0.02 Y 0.01 F 0.01 E 0.01 C Shift Assignments>> CA :: 52.92(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.26(D) HA :: 5.07(D) HB2 :: 2.30(D) HB3 :: 2.30(D) HG2 :: 1.67(D) HG3 :: 1.67(D) HD2 :: 1.85(D) HD3 :: 1.85(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.39(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.24 T 0.22 I 0.18 P 0.14 S 0.09 C 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 176.12(D) CA :: 62.42(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.97(D) HB2 :: 2.25(D) HB3 :: 2.41(D) HG2 :: 2.14(D) HG3 :: 2.19(D) HD2 :: 3.94(D) HD3 :: 3.79(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) V51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.12 F 0.12 Y 0.11 C 0.1 I 0.09 T 0.06 V 0.06 E 0.06 R 0.05 K 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 174.14(D) CA :: 59.54(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.62(D) HA :: 4.72(D) HG1 :: 0.83(D) HG2 :: 0.80(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.89(D) Ave N Shift Values>> N :: 121.02(4.96) S52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.1 K 0.1 C 0.09 Q 0.09 E 0.09 H 0.08 M 0.08 Y 0.07 F 0.07 L 0.06 S 0.05 D 0.02 I 0.01 C Shift Assignments>> C :: 172.88(D) CA :: 56.98(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.58(D) HA :: 5.30(D) HB2 :: 3.83(D) HB3 :: 3.83(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.50(D) Ave N Shift Values>> N :: 116.3(3.95) F53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.11 H 0.1 Q 0.08 D 0.08 C 0.08 K 0.07 R 0.07 E 0.05 Y 0.04 F 0.04 N 0.03 A 0.03 S 0.02 C Shift Assignments>> C :: 172.86(D) CA :: 55.62(D) Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.66(D) HA :: 5.45(D) HB2 :: 3.32(D) HB3 :: 3.32(D) HD1 :: 6.71(D) HD2 :: 6.71(D) HE1 :: 6.82(D) HE2 :: 6.82(D) HZ :: 6.75(D) Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.77(D) Ave N Shift Values>> N :: 120.69(4.18) T54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.13 S 0.12 Y 0.12 C 0.1 E 0.08 R 0.07 K 0.06 Q 0.05 H 0.05 M 0.04 I 0.03 L 0.02 V 0.02 T 0.02 C Shift Assignments>> C :: 175.97(D) CA :: 58.40(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.18(D) HA :: 5.65(D) HB :: 4.14(D) HG2 :: 1.19(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.71(D) Ave N Shift Values>> N :: 115.7(5.05) V55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.12 F 0.12 C 0.1 S 0.1 E 0.09 R 0.08 K 0.07 Q 0.06 H 0.05 M 0.05 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 173.63(D) CA :: 58.12(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.01(D) HA :: 5.36(D) HB :: 2.18(D) HG1 :: 1.09(D) HG2 :: 0.80(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 113.27(D) Ave N Shift Values>> N :: 121.02(4.96) K56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.14 A 0.12 L 0.09 M 0.07 H 0.07 C 0.06 Q 0.05 R 0.04 K 0.04 Y 0.02 E 0.02 F 0.02 C Shift Assignments>> C :: 173.98(D) CA :: 54.12(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.31(D) HA :: 5.74(D) HB2 :: 1.83(D) HB3 :: 1.60(D) HG2 :: 1.38(D) HG3 :: 1.38(D) HD2 :: 1.24(D) HD3 :: 1.03(D) HE2 :: 2.81(D) HE3 :: 3.05(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.87(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.11 E 0.11 Y 0.1 F 0.09 R 0.09 K 0.08 Q 0.07 S 0.07 H 0.07 M 0.06 L 0.04 D 0.01 I 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 175.50(D) CA :: 57.56(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.50(D) HA :: 2.79(S) HB2 :: 1.82(D) HB3 :: 1.82(D) HG2 :: 1.92(D) HG3 :: 2.11(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 129.29(D) Ave N Shift Values>> N :: 120.68(3.68) T58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.16 T 0.12 V 0.12 F 0.1 S 0.09 C 0.09 Y 0.08 E 0.04 R 0.03 K 0.02 H 0.02 Q 0.02 P 0.01 M 0.01 C Shift Assignments>> C :: 174.26(D) CA :: 60.42(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.97(D) HA :: 5.21(D) HB :: 4.14(D) HG2 :: 0.95(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.21(D) Ave N Shift Values>> N :: 115.7(5.05) V59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.22 T 0.18 V 0.16 F 0.07 C 0.07 Y 0.06 S 0.06 P 0.04 E 0.02 R 0.02 K 0.01 H 0.01 Q 0.01 C Shift Assignments>> C :: 177.53(D) CA :: 61.08(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.93(D) HA :: 4.11(D) HB :: 2.51(D) HG1 :: 0.99(D) HG2 :: 0.88(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 105.27(D) Ave N Shift Values>> N :: 121.02(4.96) C60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.29 N 0.24 D 0.13 L 0.05 C 0.05 M 0.04 H 0.04 R 0.02 Q 0.02 K 0.02 P 0.01 Y 0.01 F 0.01 C Shift Assignments>> CA :: 52.43(D) Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.26(D) HA :: 4.55(D) HB2 :: 2.85(D) HB3 :: 3.45(D) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.53(D) Ave N Shift Values>> N :: 119.95(4.79) P61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> T 0.23 V 0.21 I 0.21 P 0.1 S 0.06 C 0.04 F 0.04 Y 0.03 C Shift Assignments>> C :: 177.30(D) CA :: 62.03(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.94(D) HB2 :: 1.94(D) HB3 :: 2.51(D) HG2 :: 2.03(D) HG3 :: 2.13(D) HD2 :: 4.25(D) HD3 :: 3.58(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) R62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.2 T 0.16 V 0.15 F 0.08 C 0.08 Y 0.07 S 0.07 P 0.03 E 0.02 R 0.02 K 0.01 H 0.01 Q 0.01 M 0.01 C Shift Assignments>> CA :: 60.89(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.27(D) HA :: 3.96(D) HB2 :: 1.55(D) HB3 :: 1.55(D) HG2 :: 1.33(D) HG3 :: 1.33(D) HD2 :: 3.20(D) HD3 :: 3.28(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.14(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.27 P 0.2 V 0.2 T 0.15 I 0.12 C 0.01 F 0.01 C Shift Assignments>> C :: 176.92(D) CA :: 64.22(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.54(D) HB2 :: 1.90(D) HB3 :: 2.34(D) HG2 :: 2.03(D) HG3 :: 2.03(D) HD2 :: 3.83(D) HD3 :: 3.44(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) T64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.24 S 0.21 V 0.19 T 0.16 I 0.13 C 0.02 F 0.01 Y 0.01 C Shift Assignments>> C :: 174.97(D) CA :: 63.46(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.55(D) HA :: 4.10(D) HB :: 4.28(D) HG2 :: 1.32(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.10(D) Ave N Shift Values>> N :: 115.7(5.05) R65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 L 0.11 H 0.1 Q 0.09 K 0.08 R 0.08 C 0.08 E 0.06 D 0.06 Y 0.05 F 0.05 S 0.02 N 0.02 A 0.02 C Shift Assignments>> C :: 175.69(D) CA :: 55.95(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.20(D) HA :: 4.17(D) HB2 :: 2.04(D) HB3 :: 2.04(D) HG2 :: 1.65(D) HG3 :: 1.80(D) HD2 :: 3.21(D) HD3 :: 3.21(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.28(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 N 0.16 A 0.14 L 0.09 M 0.07 H 0.06 C 0.06 Q 0.04 R 0.04 K 0.04 Y 0.02 F 0.02 E 0.02 C Shift Assignments>> CA :: 54.00(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.43(D) HA :: 4.49(D) HB2 :: 1.88(D) HB3 :: 1.88(D) HG2 :: 2.04(D) HG3 :: 2.26(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.19(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> I 0.19 T 0.15 V 0.14 F 0.09 C 0.08 S 0.07 Y 0.07 E 0.03 P 0.03 R 0.03 K 0.02 H 0.01 Q 0.01 M 0.01 C Shift Assignments>> CA :: 60.73(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.65(D) HB2 :: 1.82(D) HB3 :: 2.37(D) HG2 :: 2.00(D) HG3 :: 2.10(D) HD2 :: 3.89(D) HD3 :: 3.54(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) P68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.25 S 0.24 T 0.18 P 0.15 I 0.13 C 0.01 C Shift Assignments>> C :: 177.80(D) CA :: 65.36(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.79(D) HB2 :: 2.00(D) HB3 :: 2.22(D) HG2 :: 2.00(D) HG3 :: 2.00(D) HD2 :: 4.00(D) HD3 :: 3.88(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) E69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.11 C 0.11 F 0.1 E 0.1 S 0.09 R 0.08 K 0.07 Q 0.07 H 0.06 M 0.05 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 176.61(D) CA :: 57.86(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.33(D) HA :: 3.81(D) HB2 :: 1.90(D) HB3 :: 2.01(D) HG2 :: 2.21(D) HG3 :: 2.21(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 111.70(D) Ave N Shift Values>> N :: 120.68(3.68) L70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 N 0.16 A 0.14 L 0.09 M 0.07 H 0.06 C 0.06 Q 0.04 R 0.04 K 0.04 Y 0.02 F 0.02 E 0.02 C Shift Assignments>> C :: 176.83(D) CA :: 53.97(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.75(D) HA :: 4.34(D) HB2 :: 1.70(D) HB3 :: 1.70(D) HG :: 1.53(D) HD1 :: 0.80(D) HD2 :: 0.78(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.11(D) Ave N Shift Values>> N :: 121.98(4.07) C71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.1 L 0.1 Q 0.09 K 0.08 R 0.08 C 0.08 E 0.06 D 0.05 Y 0.05 F 0.05 S 0.02 N 0.02 A 0.02 C Shift Assignments>> C :: 172.79(D) CA :: 56.00(D) Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.74(D) HA :: 4.52(D) HB2 :: 3.57(D) HB3 :: 2.55(D) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.08(D) Ave N Shift Values>> N :: 119.95(4.79) D72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.14 A 0.13 L 0.09 M 0.07 H 0.07 C 0.06 Q 0.05 R 0.04 K 0.04 Y 0.02 E 0.02 F 0.02 C Shift Assignments>> C :: 176.19(D) CA :: 54.10(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.47(D) HA :: 4.16(D) HB2 :: 2.41(D) HB3 :: 2.61(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.48(D) Ave N Shift Values>> N :: 120.73(4.2) F73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 F 0.12 Y 0.11 C 0.1 I 0.08 E 0.06 T 0.06 V 0.06 R 0.05 K 0.04 H 0.03 Q 0.03 M 0.03 L 0.01 C Shift Assignments>> C :: 176.37(D) CA :: 59.48(D) Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.15(D) HA :: 4.33(D) HB2 :: 2.75(D) HB3 :: 2.80(D) HD1 :: 7.16(D) HD2 :: 7.16(D) HE1 :: 7.31(D) HE2 :: 7.31(D) HZ :: 7.51(D) Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.57(D) Ave N Shift Values>> N :: 120.69(4.18) K74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.11 H 0.1 Q 0.08 C 0.08 D 0.08 K 0.07 R 0.07 E 0.05 Y 0.04 F 0.04 N 0.03 A 0.03 S 0.02 C Shift Assignments>> C :: 177.48(D) CA :: 55.63(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.06(D) HA :: 4.04(D) HB2 :: 1.35(D) HB3 :: 1.15(D) HG2 :: 1.27(D) HG3 :: 1.23(D) HD2 :: 1.42(D) HD3 :: 1.34(D) HE2 :: 2.87(D) HE3 :: 2.87(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.56(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.13 S 0.12 Y 0.12 C 0.1 E 0.08 R 0.07 K 0.06 Q 0.05 H 0.05 M 0.04 I 0.03 L 0.02 V 0.02 T 0.02 C Shift Assignments>> C :: 177.60(D) CA :: 58.40(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.99(D) HA :: 4.01(D) HB2 :: 1.90(D) HB3 :: 2.00(D) HG2 :: 2.25(D) HG3 :: 2.25(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 130.39(D) Ave N Shift Values>> N :: 120.68(3.68) N76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.22 A 0.2 D 0.14 L 0.07 M 0.06 C 0.05 H 0.05 Q 0.03 R 0.03 K 0.03 Y 0.02 F 0.01 E 0.01 C Shift Assignments>> C :: 175.72(D) CA :: 53.50(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.93(D) HA :: 4.62(D) HB2 :: 2.96(D) HB3 :: 2.89(D) HD21 :: 7.61(D) HD22 :: 6.92(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.40(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 172.33(D) CA :: 45.50(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.88(D) HA2 :: 3.94(D) HA3 :: 3.45(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.68(D) Ave N Shift Values>> N :: 109.91(4.29) R78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.11 E 0.11 R 0.09 K 0.09 Y 0.09 F 0.08 Q 0.08 H 0.07 M 0.06 S 0.06 L 0.05 D 0.02 I 0.01 V 0.01 HN Overlap>> E101 C Shift Assignments>> C :: 175.30(D) CA :: 57.35(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.96(D) HA :: 4.24(D) HB2 :: 1.90(D) HB3 :: 2.40(D) HG2 :: 1.81(D) HG3 :: 1.81(D) HD2 :: 3.30(D) HD3 :: 3.30(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.54(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.18 T 0.14 V 0.13 F 0.09 C 0.08 S 0.08 Y 0.08 E 0.03 R 0.03 P 0.02 K 0.02 H 0.01 Q 0.01 M 0.01 HN Overlap>> L88 C Shift Assignments>> C :: 176.17(D) CA :: 60.63(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.67(D) HA :: 5.19(D) HB :: 1.89(D) HG1 :: 0.97(D) HG2 :: 0.93(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.61(D) Ave N Shift Values>> N :: 121.02(4.96) K80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.19 A 0.17 D 0.15 L 0.08 M 0.06 C 0.06 H 0.06 Q 0.04 R 0.04 K 0.03 Y 0.02 F 0.02 E 0.02 C Shift Assignments>> C :: 174.05(D) CA :: 53.75(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.84(D) HA :: 5.12(D) HB2 :: 1.37(D) HB3 :: 1.27(D) HG2 :: 1.03(D) HG3 :: 1.03(D) HD2 :: 1.09(D) HD3 :: 1.09(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.81(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.12 A 0.11 L 0.1 M 0.08 H 0.07 C 0.06 Q 0.05 R 0.05 K 0.04 Y 0.03 E 0.02 F 0.02 C Shift Assignments>> C :: 175.28(D) CA :: 54.28(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.81(D) HA :: 4.74(D) HB2 :: 2.06(D) HB3 :: 1.88(D) HG2 :: 2.18(D) HG3 :: 2.18(D) HE21 :: 7.02(D) HE22 :: 6.80(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.14(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) C82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> D 0.17 L 0.11 N 0.09 M 0.08 A 0.08 H 0.08 C 0.07 Q 0.06 R 0.05 K 0.05 E 0.03 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> C :: 172.76(D) CA :: 54.60(D) Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.38(D) HA :: 5.44(D) HB2 :: 1.84(D) HB3 :: 1.02(S) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 126.96(D) Ave N Shift Values>> N :: 119.95(4.79) V83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 F 0.12 Y 0.11 C 0.1 I 0.07 E 0.07 R 0.06 V 0.05 T 0.05 K 0.05 H 0.04 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 175.11(D) CA :: 59.31(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.53(D) HA :: 5.07(D) HB :: 2.13(D) HG1 :: 0.98(D) HG2 :: 0.92(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.02(D) Ave N Shift Values>> N :: 121.02(4.96) G84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 173.06(D) CA :: 45.43(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.02(D) HA2 :: 5.01(D) HA3 :: 4.38(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.46(D) Ave N Shift Values>> N :: 109.91(4.29) T85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.14 T 0.11 F 0.11 V 0.1 S 0.1 C 0.09 Y 0.09 E 0.04 R 0.04 K 0.03 H 0.02 Q 0.02 M 0.01 P 0.01 C Shift Assignments>> C :: 173.15(D) CA :: 60.23(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.93(D) HA :: 5.48(D) HB :: 3.90(D) HG2 :: 1.10(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.03(D) Ave N Shift Values>> N :: 115.7(5.05) V86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 F 0.13 Y 0.11 C 0.1 E 0.07 I 0.06 R 0.06 K 0.05 V 0.04 T 0.04 Q 0.04 H 0.04 M 0.03 L 0.02 C Shift Assignments>> CA :: 59.14(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.85(D) HA :: 4.85(D) HB :: 2.00(D) HG1 :: 0.77(D) HG2 :: 0.70(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 113.14(D) Ave N Shift Values>> N :: 121.02(4.96) T87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.14 F 0.11 T 0.11 S 0.1 V 0.1 C 0.09 Y 0.09 E 0.04 R 0.04 K 0.03 H 0.02 Q 0.02 M 0.02 P 0.01 C Shift Assignments>> C :: 176.85(D) CA :: 60.17(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.33(D) HA :: 4.72(D) HB :: 4.18(D) HG2 :: 1.14(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.30(D) Ave N Shift Values>> N :: 115.7(5.05) L88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 M 0.11 H 0.1 Q 0.09 K 0.08 C 0.08 R 0.08 D 0.07 E 0.05 Y 0.05 F 0.04 N 0.02 A 0.02 S 0.02 HN Overlap>> V79 C Shift Assignments>> C :: 176.96(D) CA :: 55.78(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.69(D) HA :: 4.21(D) HB2 :: 2.13(D) HB3 :: 1.68(D) HG :: 1.68(D) HD1 :: 0.65(D) HD2 :: 0.65(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.61(D) Ave N Shift Values>> N :: 121.98(4.07) D89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.21 A 0.19 D 0.15 L 0.08 M 0.06 C 0.06 H 0.05 Q 0.03 R 0.03 K 0.03 Y 0.02 F 0.02 E 0.01 C Shift Assignments>> C :: 176.14(D) CA :: 53.59(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.94(D) HA :: 4.60(D) HB2 :: 2.50(D) HB3 :: 2.70(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.65(D) Ave N Shift Values>> N :: 120.73(4.2) Q90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.11 H 0.1 Q 0.08 C 0.08 K 0.08 R 0.07 D 0.07 E 0.05 Y 0.04 F 0.04 N 0.03 A 0.02 S 0.02 HN Overlap>> E43 C Shift Assignments>> C :: 175.74(D) CA :: 55.67(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.01(D) HA :: 4.27(D) HB2 :: 1.99(D) HB3 :: 2.11(D) HG2 :: 2.31(D) HG3 :: 2.31(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.26(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.23 T 0.23 V 0.21 P 0.09 S 0.05 C 0.04 F 0.04 Y 0.03 E 0.01 R 0.01 C Shift Assignments>> C :: 176.27(D) CA :: 61.86(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.06(D) HA :: 4.06(D) HB :: 1.91(D) HG2 :: 0.84(D) HG12 :: 1.18(D) HG13 :: 1.40(D) HD1 :: 0.87(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.06(D) Ave N Shift Values>> N :: 121.6(4.72) K92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 L 0.11 H 0.1 Q 0.09 K 0.08 R 0.08 C 0.08 D 0.06 E 0.06 Y 0.05 F 0.04 S 0.02 N 0.02 A 0.02 C Shift Assignments>> C :: 175.72(D) CA :: 55.90(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.09(D) HA :: 4.31(D) HB2 :: 1.72(D) HB3 :: 1.72(D) HG2 :: 1.35(D) HG3 :: 1.42(D) HD2 :: 1.66(D) HD3 :: 1.66(D) HE2 :: 2.98(D) HE3 :: 2.98(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.60(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.27 N 0.24 D 0.13 L 0.06 C 0.05 M 0.04 H 0.04 R 0.02 Q 0.02 K 0.02 Y 0.01 F 0.01 E 0.01 C Shift Assignments>> CA :: 52.84(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.09(D) HA :: 4.80(D) HB2 :: 2.51(D) HB3 :: 2.64(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.11(D) Ave N Shift Values>> N :: 120.73(4.2) P94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.24 V 0.2 S 0.18 T 0.17 I 0.13 C 0.02 F 0.01 Y 0.01 C Shift Assignments>> C :: 176.83(D) CA :: 63.24(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.45(D) HB2 :: 1.85(D) HB3 :: 2.27(D) HG2 :: 1.97(D) HG3 :: 1.97(D) HD2 :: 3.80(D) HD3 :: 3.65(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) L95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.14 L 0.12 M 0.09 H 0.08 N 0.07 C 0.07 Q 0.07 A 0.06 R 0.06 K 0.06 E 0.04 Y 0.03 F 0.03 S 0.01 HN Overlap>> E26 C Shift Assignments>> C :: 176.75(D) CA :: 54.87(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.40(D) HA :: 4.34(D) HB2 :: 1.63(D) HB3 :: 1.63(D) HG :: 1.74(D) HD1 :: 0.94(D) HD2 :: 1.00(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.75(D) Ave N Shift Values>> N :: 121.98(4.07) D96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.24 N 0.23 D 0.14 L 0.07 C 0.05 M 0.05 H 0.04 R 0.03 Q 0.03 K 0.02 Y 0.01 F 0.01 E 0.01 C Shift Assignments>> C :: 174.95(D) CA :: 53.28(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.79(D) HA :: 4.83(D) HB2 :: 2.48(D) HB3 :: 2.77(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.45(D) Ave N Shift Values>> N :: 120.73(4.2) I97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 F 0.12 Y 0.11 C 0.1 I 0.08 E 0.06 T 0.06 V 0.06 R 0.05 K 0.04 H 0.03 Q 0.03 M 0.03 L 0.01 C Shift Assignments>> C :: 175.27(D) CA :: 59.42(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.57(D) HA :: 4.72(D) HB :: 1.64(D) HG2 :: 0.73(D) HG12 :: 1.08(D) HG13 :: 1.08(D) HD1 :: 0.80(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.91(D) Ave N Shift Values>> N :: 121.6(4.72) T98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.21 T 0.16 V 0.15 F 0.08 C 0.07 Y 0.07 S 0.06 P 0.03 E 0.02 R 0.02 K 0.01 H 0.01 Q 0.01 M 0.01 C Shift Assignments>> C :: 173.76(D) CA :: 60.92(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.55(D) HA :: 4.52(D) HB :: 4.00(D) HG2 :: 1.19(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.91(D) Ave N Shift Values>> N :: 115.7(5.05) C99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 L 0.11 N 0.09 M 0.08 A 0.08 H 0.08 C 0.07 Q 0.06 R 0.05 K 0.05 E 0.03 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> C :: 173.15(D) CA :: 54.62(D) Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.85(D) HA :: 5.69(D) HB2 :: 2.94(D) HB3 :: 2.32(D) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.45(D) Ave N Shift Values>> N :: 119.95(4.79) N100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.3 N 0.24 D 0.11 P 0.06 C 0.05 L 0.05 M 0.03 H 0.03 R 0.02 Q 0.01 K 0.01 Y 0.01 F 0.01 C Shift Assignments>> C :: 174.00(D) CA :: 51.92(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.82(D) HA :: 5.01(D) HB2 :: 2.69(D) HB3 :: 2.64(D) HD21 :: 7.58(D) HD22 :: 6.87(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.52(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.11 E 0.11 R 0.09 K 0.09 Y 0.09 F 0.08 Q 0.08 H 0.07 M 0.06 S 0.06 L 0.05 D 0.02 I 0.01 V 0.01 HN Overlap>> R78 C Shift Assignments>> C :: 176.08(D) CA :: 57.35(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.96(D) HA :: 4.48(D) HB2 :: 2.29(D) HB3 :: 2.04(D) HG2 :: 2.44(D) HG3 :: 2.44(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.58(D) Ave N Shift Values>> N :: 120.68(3.68) V102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.24 T 0.2 V 0.19 P 0.06 F 0.06 C 0.06 Y 0.04 S 0.04 E 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 175.53(D) CA :: 61.46(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.50(D) HA :: 4.27(D) HB :: 2.02(D) HG1 :: 0.91(D) HG2 :: 0.86(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.65(D) Ave N Shift Values>> N :: 121.02(4.96) Q103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 H 0.1 Q 0.08 D 0.08 C 0.08 K 0.07 R 0.07 E 0.05 Y 0.04 F 0.04 N 0.03 A 0.03 S 0.02 C Shift Assignments>> C :: 176.34(D) CA :: 55.59(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.54(D) HA :: 4.46(D) HB2 :: 2.04(D) HB3 :: 2.04(D) HG2 :: 2.15(D) HG3 :: 2.43(D) HE21 :: 7.58(D) HE22 :: 6.84(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.92(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 173.21(D) CA :: 45.30(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.50(D) HA2 :: 4.00(D) HA3 :: 3.90(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.47(D) Ave N Shift Values>> N :: 109.91(4.29) V105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.22 V 0.21 T 0.18 S 0.16 I 0.15 C 0.02 F 0.01 Y 0.01 C Shift Assignments>> CA :: 63.06(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.55(D) HA :: 4.08(D) HG1 :: 0.89(D) HG2 :: 0.84(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.12(D) Ave N Shift Values>> N :: 121.02(4.96) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 102 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 105 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 105 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 195 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 591 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 93 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: G1 CA = 43.03(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.0529e-01 G1 HA2 = 3.90(D), Expected = 3.95, Std = 0.4000, ChiSquare = 9.0052e-01 G1 HA3 = 3.90(D), Expected = 3.93, Std = 0.4000, ChiSquare = 9.4021e-01 S2 CA = 58.23(D), Expected = 58.57, Std = 2.1200, ChiSquare = 8.7258e-01 S2 H = 8.66(D), Expected = 8.29, Std = 0.6200, ChiSquare = 5.5066e-01 S2 HA = 4.47(D), Expected = 4.51, Std = 0.4300, ChiSquare = 9.2589e-01 S2 HB2 = 3.84(D), Expected = 3.88, Std = 0.2900, ChiSquare = 8.9030e-01 S2 HB3 = 3.84(D), Expected = 3.87, Std = 0.3100, ChiSquare = 9.2291e-01 H3 C = 174.48(D), Expected = 175.19, Std = 2.1400, ChiSquare = 7.4006e-01 H3 CA = 55.40(D), Expected = 56.37, Std = 2.4000, ChiSquare = 6.8609e-01 H3 H = 8.68(D), Expected = 8.25, Std = 0.7400, ChiSquare = 5.6119e-01 H3 HA = 4.45(D), Expected = 4.62, Std = 0.5100, ChiSquare = 7.3888e-01 H3 HB2 = 3.12(D), Expected = 3.12, Std = 0.4300, ChiSquare = 1.0000e+00 H3 HB3 = 3.22(D), Expected = 3.11, Std = 0.4500, ChiSquare = 8.0689e-01 H3 N = 120.43(D), Expected = 119.44, Std = 4.5200, ChiSquare = 8.2663e-01 M4 C = 175.80(D), Expected = 176.30, Std = 2.1300, ChiSquare = 8.1441e-01 M4 CA = 55.32(D), Expected = 56.16, Std = 2.3400, ChiSquare = 7.1961e-01 M4 H = 8.41(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.0259e-01 M4 HA = 4.47(D), Expected = 4.39, Std = 0.4600, ChiSquare = 8.6193e-01 M4 HE = 2.07(D), Expected = 1.86, Std = 0.4700, ChiSquare = 6.5501e-01 M4 N = 121.44(D), Expected = 120.10, Std = 3.8800, ChiSquare = 7.2982e-01 Q5 C = 175.21(D), Expected = 176.39, Std = 1.9600, ChiSquare = 5.4715e-01 Q5 CA = 55.68(D), Expected = 56.62, Std = 2.1900, ChiSquare = 6.6776e-01 Q5 H = 8.41(D), Expected = 8.22, Std = 0.6200, ChiSquare = 7.5926e-01 Q5 HA = 4.30(D), Expected = 4.28, Std = 0.4400, ChiSquare = 9.6375e-01 Q5 HB2 = 2.19(D), Expected = 2.05, Std = 0.2800, ChiSquare = 6.1707e-01 Q5 HB3 = 2.02(D), Expected = 2.04, Std = 0.2900, ChiSquare = 9.4502e-01 Q5 HG2 = 2.37(D), Expected = 2.32, Std = 0.2900, ChiSquare = 8.6311e-01 Q5 HG3 = 2.37(D), Expected = 2.32, Std = 0.2900, ChiSquare = 8.6311e-01 Q5 N = 121.90(D), Expected = 119.92, Std = 4.0100, ChiSquare = 6.2147e-01 A6 C = 177.55(D), Expected = 177.80, Std = 2.1800, ChiSquare = 9.0870e-01 A6 CA = 52.20(D), Expected = 53.16, Std = 2.0600, ChiSquare = 6.4120e-01 A6 H = 8.33(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.2847e-01 A6 HA = 4.36(D), Expected = 4.26, Std = 0.4200, ChiSquare = 8.1181e-01 A6 HB = 1.33(D), Expected = 1.38, Std = 0.2500, ChiSquare = 8.4148e-01 A6 N = 125.30(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.7585e-01 L7 C = 177.43(D), Expected = 176.97, Std = 2.0900, ChiSquare = 8.2580e-01 L7 CA = 54.61(D), Expected = 55.65, Std = 2.2100, ChiSquare = 6.3793e-01 L7 H = 8.25(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.6319e-01 L7 HA = 4.43(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.1495e-01 L7 HB2 = 1.71(D), Expected = 1.63, Std = 0.3400, ChiSquare = 8.1398e-01 L7 HB3 = 1.66(D), Expected = 1.57, Std = 0.3600, ChiSquare = 8.0259e-01 L7 HG = 1.60(D), Expected = 1.54, Std = 0.3300, ChiSquare = 8.5573e-01 L7 HD1 = 0.81(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.8223e-01 L7 HD2 = 0.81(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.5827e-01 L7 N = 120.70(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.5314e-01 S8 C = 174.80(D), Expected = 174.53, Std = 1.7300, ChiSquare = 8.7598e-01 S8 CA = 57.28(D), Expected = 58.57, Std = 2.1200, ChiSquare = 5.4286e-01 S8 H = 8.29(D), Expected = 8.29, Std = 0.6200, ChiSquare = 1.0000e+00 S8 HA = 4.57(D), Expected = 4.51, Std = 0.4300, ChiSquare = 8.8903e-01 S8 HB2 = 4.33(D), Expected = 3.88, Std = 0.2900, ChiSquare = 1.2073e-01 S8 HB3 = 4.00(D), Expected = 3.87, Std = 0.3100, ChiSquare = 6.7496e-01 S8 N = 114.93(D), Expected = 116.30, Std = 3.9500, ChiSquare = 7.2871e-01 Y9 C = 176.67(D), Expected = 175.39, Std = 1.8900, ChiSquare = 4.9825e-01 Y9 CA = 62.42(D), Expected = 58.02, Std = 2.6400, ChiSquare = 9.5581e-02 Y9 H = 9.12(D), Expected = 8.37, Std = 0.7500, ChiSquare = 3.1731e-01 Y9 HA = 3.97(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.3857e-01 Y9 HB2 = 2.90(D), Expected = 2.91, Std = 0.3700, ChiSquare = 9.7844e-01 Y9 HB3 = 3.05(D), Expected = 2.91, Std = 0.3700, ChiSquare = 7.0515e-01 Y9 HD1 = 6.94(D), Expected = 6.87, Std = 0.6500, ChiSquare = 9.1424e-01 Y9 HD2 = 6.94(D), Expected = 6.86, Std = 0.6800, ChiSquare = 9.0635e-01 Y9 HE1 = 6.66(D), Expected = 6.64, Std = 0.5800, ChiSquare = 9.7249e-01 Y9 HE2 = 6.66(D), Expected = 6.63, Std = 0.6100, ChiSquare = 9.6078e-01 Y9 N = 122.77(D), Expected = 120.79, Std = 4.6900, ChiSquare = 6.7290e-01 R10 C = 178.03(D), Expected = 176.49, Std = 2.1600, ChiSquare = 4.7587e-01 R10 CA = 59.94(D), Expected = 56.95, Std = 2.4100, ChiSquare = 2.1473e-01 R10 H = 8.68(D), Expected = 8.24, Std = 0.6000, ChiSquare = 4.6336e-01 R10 HA = 3.59(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.2224e-01 R10 HB2 = 1.70(D), Expected = 1.79, Std = 0.2800, ChiSquare = 7.4789e-01 R10 HB3 = 1.82(D), Expected = 1.78, Std = 0.2800, ChiSquare = 8.8640e-01 R10 HG2 = 1.46(D), Expected = 1.58, Std = 0.2700, ChiSquare = 6.5672e-01 R10 HG3 = 1.39(D), Expected = 1.58, Std = 0.2700, ChiSquare = 4.8162e-01 R10 N = 116.71(D), Expected = 120.61, Std = 3.9000, ChiSquare = 3.1731e-01 E11 C = 178.74(D), Expected = 176.93, Std = 2.1100, ChiSquare = 3.9099e-01 E11 CA = 59.30(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.9065e-01 E11 H = 7.80(D), Expected = 8.34, Std = 0.6100, ChiSquare = 3.7602e-01 E11 HA = 3.85(D), Expected = 4.26, Std = 0.4300, ChiSquare = 3.4034e-01 E11 HB2 = 2.01(D), Expected = 2.04, Std = 0.2200, ChiSquare = 8.9153e-01 E11 HB3 = 2.26(D), Expected = 2.04, Std = 0.2300, ChiSquare = 3.3881e-01 E11 HG2 = 2.34(D), Expected = 2.31, Std = 0.2100, ChiSquare = 8.8640e-01 E11 HG3 = 2.34(D), Expected = 2.31, Std = 0.2100, ChiSquare = 8.8640e-01 E11 N = 116.93(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.0819e-01 A12 C = 176.73(D), Expected = 177.80, Std = 2.1800, ChiSquare = 6.2355e-01 A12 CA = 55.00(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.7175e-01 A12 H = 8.35(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.0259e-01 A12 HA = 3.94(D), Expected = 4.26, Std = 0.4200, ChiSquare = 4.4612e-01 A12 HB = 1.35(D), Expected = 1.38, Std = 0.2500, ChiSquare = 9.0448e-01 A12 N = 122.15(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.7037e-01 V13 C = 177.45(D), Expected = 175.69, Std = 2.0300, ChiSquare = 3.8594e-01 V13 CA = 66.70(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.6509e-01 V13 H = 7.92(D), Expected = 8.29, Std = 0.7100, ChiSquare = 6.0228e-01 V13 HA = 3.12(D), Expected = 4.16, Std = 0.5700, ChiSquare = 6.8067e-02 V13 HB = 1.85(D), Expected = 1.99, Std = 0.3300, ChiSquare = 6.7139e-01 V13 HG1 = -0.11(S), Expected = 0.84, Std = 0.2700, ChiSquare = 4.3396e-04 V13 HG2 = 0.46(D), Expected = 0.83, Std = 0.2900, ChiSquare = 2.0200e-01 V13 N = 120.19(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.6710e-01 L14 C = 180.64(D), Expected = 176.97, Std = 2.0900, ChiSquare = 7.9092e-02 L14 CA = 58.42(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.1006e-01 L14 H = 8.43(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.4664e-01 L14 HA = 3.79(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.5946e-01 L14 HB2 = 1.92(D), Expected = 1.63, Std = 0.3400, ChiSquare = 3.9369e-01 L14 HB3 = 1.46(D), Expected = 1.57, Std = 0.3600, ChiSquare = 7.5994e-01 L14 HG = 1.69(D), Expected = 1.54, Std = 0.3300, ChiSquare = 6.4944e-01 L14 HD1 = 0.79(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.4095e-01 L14 HD2 = 0.79(D), Expected = 0.76, Std = 0.2800, ChiSquare = 9.1468e-01 L14 N = 120.35(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.8879e-01 R15 C = 178.83(D), Expected = 176.49, Std = 2.1600, ChiSquare = 2.7866e-01 R15 CA = 58.72(D), Expected = 56.95, Std = 2.4100, ChiSquare = 4.6268e-01 R15 H = 8.02(D), Expected = 8.24, Std = 0.6000, ChiSquare = 7.1387e-01 R15 HA = 4.20(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.7360e-01 R15 HB2 = 1.96(D), Expected = 1.79, Std = 0.2800, ChiSquare = 5.4376e-01 R15 HB3 = 1.96(D), Expected = 1.78, Std = 0.2800, ChiSquare = 5.2032e-01 R15 HG2 = 1.86(D), Expected = 1.58, Std = 0.2700, ChiSquare = 2.9972e-01 R15 HG3 = 1.86(D), Expected = 1.58, Std = 0.2700, ChiSquare = 2.9972e-01 R15 N = 118.65(D), Expected = 120.61, Std = 3.9000, ChiSquare = 6.1527e-01 A16 C = 179.44(D), Expected = 177.80, Std = 2.1800, ChiSquare = 4.5187e-01 A16 CA = 55.00(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.7175e-01 A16 H = 7.78(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.8393e-01 A16 HA = 4.11(D), Expected = 4.26, Std = 0.4200, ChiSquare = 7.2098e-01 A16 HB = 1.53(D), Expected = 1.38, Std = 0.2500, ChiSquare = 5.4851e-01 A16 N = 123.60(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.2034e-01 V17 C = 178.14(D), Expected = 175.69, Std = 2.0300, ChiSquare = 2.2747e-01 V17 CA = 66.82(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.5340e-01 V17 H = 8.27(D), Expected = 8.29, Std = 0.7100, ChiSquare = 9.7753e-01 V17 HA = 3.52(D), Expected = 4.16, Std = 0.5700, ChiSquare = 2.6152e-01 V17 HB = 2.31(D), Expected = 1.99, Std = 0.3300, ChiSquare = 3.3220e-01 V17 HG1 = 0.93(D), Expected = 0.84, Std = 0.2700, ChiSquare = 7.3888e-01 V17 HG2 = 0.84(D), Expected = 0.83, Std = 0.2900, ChiSquare = 9.7249e-01 V17 N = 119.92(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.2449e-01 D18 C = 179.43(D), Expected = 176.41, Std = 1.7700, ChiSquare = 8.7968e-02 D18 CA = 57.42(D), Expected = 54.52, Std = 2.1000, ChiSquare = 1.6729e-01 D18 H = 7.76(D), Expected = 8.33, Std = 0.5700, ChiSquare = 3.1731e-01 D18 HA = 4.69(D), Expected = 4.61, Std = 0.3100, ChiSquare = 7.9636e-01 D18 HB2 = 2.79(D), Expected = 2.74, Std = 0.2900, ChiSquare = 8.6311e-01 D18 HB3 = 2.99(D), Expected = 2.70, Std = 0.2900, ChiSquare = 3.1731e-01 D18 N = 120.18(D), Expected = 120.73, Std = 4.2000, ChiSquare = 8.9581e-01 R19 C = 178.90(D), Expected = 176.49, Std = 2.1600, ChiSquare = 2.6453e-01 R19 CA = 58.90(D), Expected = 56.95, Std = 2.4100, ChiSquare = 4.1844e-01 R19 H = 8.05(D), Expected = 8.24, Std = 0.6000, ChiSquare = 7.5150e-01 R19 HA = 4.14(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.6765e-01 R19 HB2 = 2.03(D), Expected = 1.79, Std = 0.2800, ChiSquare = 3.9137e-01 R19 HB3 = 2.03(D), Expected = 1.78, Std = 0.2800, ChiSquare = 3.7193e-01 R19 HG2 = 1.72(D), Expected = 1.58, Std = 0.2700, ChiSquare = 6.0410e-01 R19 HG3 = 1.89(D), Expected = 1.58, Std = 0.2700, ChiSquare = 2.5091e-01 R19 HD2 = 3.24(D), Expected = 3.13, Std = 0.2300, ChiSquare = 6.3246e-01 R19 HD3 = 3.24(D), Expected = 3.13, Std = 0.2200, ChiSquare = 6.1707e-01 R19 N = 120.75(D), Expected = 120.61, Std = 3.9000, ChiSquare = 9.7136e-01 L20 C = 180.71(D), Expected = 176.97, Std = 2.0900, ChiSquare = 7.3539e-02 L20 CA = 58.13(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.6179e-01 L20 H = 8.45(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.2345e-01 L20 HA = 4.00(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.9597e-01 L20 HB2 = 1.90(D), Expected = 1.63, Std = 0.3400, ChiSquare = 4.2713e-01 L20 HB3 = 1.77(D), Expected = 1.57, Std = 0.3600, ChiSquare = 5.7851e-01 L20 HD1 = 0.81(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.8223e-01 L20 HD2 = 0.81(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.5827e-01 L20 N = 121.50(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.0612e-01 N21 C = 177.44(D), Expected = 175.16, Std = 1.7600, ChiSquare = 1.9516e-01 N21 CA = 56.10(D), Expected = 53.43, Std = 1.9400, ChiSquare = 1.6873e-01 N21 H = 8.25(D), Expected = 8.37, Std = 0.6500, ChiSquare = 8.5353e-01 N21 HA = 4.59(D), Expected = 4.70, Std = 0.3900, ChiSquare = 7.7790e-01 N21 HB2 = 2.73(D), Expected = 2.80, Std = 0.3400, ChiSquare = 8.3688e-01 N21 HB3 = 3.21(D), Expected = 2.78, Std = 0.3400, ChiSquare = 2.0598e-01 N21 HD21 = 8.56(D), Expected = 7.27, Std = 0.5200, ChiSquare = 1.3110e-02 N21 HD22 = 8.29(D), Expected = 7.20, Std = 0.5200, ChiSquare = 3.6069e-02 N21 N = 116.67(D), Expected = 119.13, Std = 4.4200, ChiSquare = 5.7783e-01 E22 C = 178.13(D), Expected = 176.93, Std = 2.1100, ChiSquare = 5.6955e-01 E22 CA = 58.86(D), Expected = 57.42, Std = 2.1900, ChiSquare = 5.1084e-01 E22 H = 8.19(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.0576e-01 E22 HA = 4.06(D), Expected = 4.26, Std = 0.4300, ChiSquare = 6.4185e-01 E22 HB2 = 2.20(D), Expected = 2.04, Std = 0.2200, ChiSquare = 4.6706e-01 E22 HB3 = 2.31(D), Expected = 2.04, Std = 0.2300, ChiSquare = 2.4043e-01 E22 HG2 = 2.47(D), Expected = 2.31, Std = 0.2100, ChiSquare = 4.4612e-01 E22 HG3 = 2.47(D), Expected = 2.31, Std = 0.2100, ChiSquare = 4.4612e-01 E22 N = 120.52(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.6532e-01 Q23 C = 175.59(D), Expected = 176.39, Std = 1.9600, ChiSquare = 6.8315e-01 Q23 CA = 55.31(D), Expected = 56.62, Std = 2.1900, ChiSquare = 5.4972e-01 Q23 H = 7.55(D), Expected = 8.22, Std = 0.6200, ChiSquare = 2.7985e-01 Q23 HA = 4.42(D), Expected = 4.28, Std = 0.4400, ChiSquare = 7.5035e-01 Q23 HB2 = 2.02(D), Expected = 2.05, Std = 0.2800, ChiSquare = 9.1468e-01 Q23 HB3 = 2.27(D), Expected = 2.04, Std = 0.2900, ChiSquare = 4.2772e-01 Q23 HG2 = 2.46(D), Expected = 2.32, Std = 0.2900, ChiSquare = 6.2927e-01 Q23 HG3 = 2.55(D), Expected = 2.32, Std = 0.2900, ChiSquare = 4.2772e-01 Q23 HE21 = 7.49(D), Expected = 7.17, Std = 0.4600, ChiSquare = 4.8665e-01 Q23 HE22 = 6.85(D), Expected = 7.07, Std = 0.4900, ChiSquare = 6.5345e-01 Q23 N = 115.39(D), Expected = 119.92, Std = 4.0100, ChiSquare = 2.5861e-01 S24 CA = 57.42(D), Expected = 58.57, Std = 2.1200, ChiSquare = 5.8751e-01 S24 H = 7.33(D), Expected = 8.29, Std = 0.6200, ChiSquare = 1.2153e-01 S24 HA = 4.49(D), Expected = 4.51, Std = 0.4300, ChiSquare = 9.6290e-01 S24 HB2 = 4.20(D), Expected = 3.88, Std = 0.2900, ChiSquare = 2.6983e-01 S24 HB3 = 4.09(D), Expected = 3.87, Std = 0.3100, ChiSquare = 4.7790e-01 S24 N = 115.08(D), Expected = 116.30, Std = 3.9500, ChiSquare = 7.5743e-01 S25 C = 175.28(D), Expected = 174.53, Std = 1.7300, ChiSquare = 6.6463e-01 S25 CA = 57.25(D), Expected = 58.57, Std = 2.1200, ChiSquare = 5.3352e-01 S25 H = 8.69(D), Expected = 8.29, Std = 0.6200, ChiSquare = 5.1882e-01 S25 HA = 4.73(D), Expected = 4.51, Std = 0.4300, ChiSquare = 6.0891e-01 S25 HB2 = 4.00(D), Expected = 3.88, Std = 0.2900, ChiSquare = 6.7903e-01 S25 HB3 = 3.91(D), Expected = 3.87, Std = 0.3100, ChiSquare = 8.9733e-01 S25 N = 117.33(D), Expected = 116.30, Std = 3.9500, ChiSquare = 7.9428e-01 E26 C = 174.20(D), Expected = 176.93, Std = 2.1100, ChiSquare = 1.9572e-01 E26 CA = 56.20(D), Expected = 57.42, Std = 2.1900, ChiSquare = 5.7747e-01 E26 H = 8.37(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.6078e-01 E26 HA = 4.37(D), Expected = 4.26, Std = 0.4300, ChiSquare = 7.9809e-01 E26 HB2 = 1.91(D), Expected = 2.04, Std = 0.2200, ChiSquare = 5.5458e-01 E26 HB3 = 2.36(D), Expected = 2.04, Std = 0.2300, ChiSquare = 1.6413e-01 E26 HG2 = 2.71(D), Expected = 2.31, Std = 0.2100, ChiSquare = 5.6811e-02 E26 HG3 = 2.71(D), Expected = 2.31, Std = 0.2100, ChiSquare = 5.6811e-02 E26 N = 121.75(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.7123e-01 A27 C = 178.00(D), Expected = 177.80, Std = 2.1800, ChiSquare = 9.2690e-01 A27 CA = 54.87(D), Expected = 53.16, Std = 2.0600, ChiSquare = 4.0648e-01 A27 H = 8.67(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.3343e-01 A27 HA = 4.16(D), Expected = 4.26, Std = 0.4200, ChiSquare = 8.1181e-01 A27 HB = 1.47(D), Expected = 1.38, Std = 0.2500, ChiSquare = 7.1885e-01 A27 N = 121.12(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.6849e-01 N28 C = 175.00(D), Expected = 175.16, Std = 1.7600, ChiSquare = 9.2757e-01 N28 CA = 52.07(D), Expected = 53.43, Std = 1.9400, ChiSquare = 4.8328e-01 N28 H = 8.39(D), Expected = 8.37, Std = 0.6500, ChiSquare = 9.7545e-01 N28 HA = 5.33(D), Expected = 4.70, Std = 0.3900, ChiSquare = 1.0623e-01 N28 HB2 = 2.66(D), Expected = 2.80, Std = 0.3400, ChiSquare = 6.8051e-01 N28 HB3 = 2.82(D), Expected = 2.78, Std = 0.3400, ChiSquare = 9.0635e-01 N28 HD21 = 7.99(D), Expected = 7.27, Std = 0.5200, ChiSquare = 1.6617e-01 N28 HD22 = 6.65(D), Expected = 7.20, Std = 0.5200, ChiSquare = 2.9020e-01 N28 N = 114.97(D), Expected = 119.13, Std = 4.4200, ChiSquare = 3.4661e-01 L29 C = 177.91(D), Expected = 176.97, Std = 2.0900, ChiSquare = 6.5288e-01 L29 CA = 54.88(D), Expected = 55.65, Std = 2.2100, ChiSquare = 7.2753e-01 L29 H = 8.31(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.8988e-01 L29 HA = 3.93(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.0666e-01 L29 HB2 = 1.55(D), Expected = 1.63, Std = 0.3400, ChiSquare = 8.1398e-01 L29 HB3 = 1.32(D), Expected = 1.57, Std = 0.3600, ChiSquare = 4.8740e-01 L29 HD1 = 0.93(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.5345e-01 L29 HD2 = 0.91(D), Expected = 0.76, Std = 0.2800, ChiSquare = 5.9216e-01 L29 N = 118.60(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.0628e-01 Y30 C = 174.61(D), Expected = 175.39, Std = 1.8900, ChiSquare = 6.7983e-01 Y30 CA = 58.49(D), Expected = 58.02, Std = 2.6400, ChiSquare = 8.5870e-01 Y30 H = 9.62(D), Expected = 8.37, Std = 0.7500, ChiSquare = 9.5581e-02 Y30 HA = 4.90(D), Expected = 4.63, Std = 0.5600, ChiSquare = 6.2970e-01 Y30 HB2 = 2.95(D), Expected = 2.91, Std = 0.3700, ChiSquare = 9.1391e-01 Y30 HB3 = 2.54(D), Expected = 2.91, Std = 0.3700, ChiSquare = 3.1731e-01 Y30 HD1 = 7.01(D), Expected = 6.87, Std = 0.6500, ChiSquare = 8.2947e-01 Y30 HD2 = 7.01(D), Expected = 6.86, Std = 0.6800, ChiSquare = 8.2541e-01 Y30 HE1 = 6.64(D), Expected = 6.64, Std = 0.5800, ChiSquare = 1.0000e+00 Y30 HE2 = 6.64(D), Expected = 6.63, Std = 0.6100, ChiSquare = 9.8692e-01 Y30 N = 126.27(D), Expected = 120.79, Std = 4.6900, ChiSquare = 2.4263e-01 R31 C = 175.15(D), Expected = 176.49, Std = 2.1600, ChiSquare = 5.3501e-01 R31 CA = 53.35(D), Expected = 56.95, Std = 2.4100, ChiSquare = 1.3523e-01 R31 H = 8.58(D), Expected = 8.24, Std = 0.6000, ChiSquare = 5.7094e-01 R31 HA = 4.83(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.0311e-01 R31 HB2 = 1.48(D), Expected = 1.79, Std = 0.2800, ChiSquare = 2.6823e-01 R31 HB3 = 1.43(D), Expected = 1.78, Std = 0.2800, ChiSquare = 2.1130e-01 R31 HG2 = 1.49(D), Expected = 1.58, Std = 0.2700, ChiSquare = 7.3888e-01 R31 HG3 = 1.49(D), Expected = 1.58, Std = 0.2700, ChiSquare = 7.3888e-01 R31 N = 119.79(D), Expected = 120.61, Std = 3.9000, ChiSquare = 8.3347e-01 L32 C = 174.05(D), Expected = 176.97, Std = 2.0900, ChiSquare = 1.6237e-01 L32 CA = 57.10(D), Expected = 55.65, Std = 2.2100, ChiSquare = 5.1175e-01 L32 H = 8.89(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.0265e-01 L32 HA = 4.24(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.6484e-01 L32 HB2 = 1.90(D), Expected = 1.63, Std = 0.3400, ChiSquare = 4.2713e-01 L32 HB3 = 1.27(D), Expected = 1.57, Std = 0.3600, ChiSquare = 4.0466e-01 L32 HD1 = 0.81(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.8223e-01 L32 HD2 = 0.76(D), Expected = 0.76, Std = 0.2800, ChiSquare = 1.0000e+00 L32 N = 125.13(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.3896e-01 L33 C = 175.62(D), Expected = 176.97, Std = 2.0900, ChiSquare = 5.1832e-01 L33 CA = 55.80(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.4589e-01 L33 H = 9.43(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.2668e-02 L33 HA = 4.84(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.6856e-01 L33 HB2 = 1.96(D), Expected = 1.63, Std = 0.3400, ChiSquare = 3.3175e-01 L33 HB3 = 1.05(D), Expected = 1.57, Std = 0.3600, ChiSquare = 1.4861e-01 L33 HG = 1.36(D), Expected = 1.54, Std = 0.3300, ChiSquare = 5.8544e-01 L33 HD1 = 0.74(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.1153e-01 L33 HD2 = 0.38(D), Expected = 0.76, Std = 0.2800, ChiSquare = 1.7474e-01 L33 N = 131.26(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.2602e-02 E34 C = 173.59(D), Expected = 176.93, Std = 2.1100, ChiSquare = 1.1344e-01 E34 CA = 55.25(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.2175e-01 E34 H = 7.69(D), Expected = 8.34, Std = 0.6100, ChiSquare = 2.8662e-01 E34 HA = 4.66(D), Expected = 4.26, Std = 0.4300, ChiSquare = 3.5225e-01 E34 HB2 = 2.01(D), Expected = 2.04, Std = 0.2200, ChiSquare = 8.9153e-01 E34 HB3 = 1.90(D), Expected = 2.04, Std = 0.2300, ChiSquare = 5.4273e-01 E34 HG2 = 2.17(D), Expected = 2.31, Std = 0.2100, ChiSquare = 5.0499e-01 E34 HG3 = 2.17(D), Expected = 2.31, Std = 0.2100, ChiSquare = 5.0499e-01 E34 N = 117.36(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.6696e-01 L35 C = 175.09(D), Expected = 176.97, Std = 2.0900, ChiSquare = 3.6838e-01 L35 CA = 54.04(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.6630e-01 L35 H = 8.68(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.7914e-01 L35 HA = 4.87(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.4192e-01 L35 HB2 = 1.93(D), Expected = 1.63, Std = 0.3400, ChiSquare = 3.7759e-01 L35 HB3 = 1.53(D), Expected = 1.57, Std = 0.3600, ChiSquare = 9.1153e-01 L35 HG = 1.76(D), Expected = 1.54, Std = 0.3300, ChiSquare = 5.0499e-01 L35 HD1 = 1.09(D), Expected = 0.77, Std = 0.2700, ChiSquare = 2.3594e-01 L35 HD2 = 0.90(D), Expected = 0.76, Std = 0.2800, ChiSquare = 6.1707e-01 L35 N = 125.05(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.5067e-01 D36 C = 175.79(D), Expected = 176.41, Std = 1.7700, ChiSquare = 7.2613e-01 D36 CA = 53.90(D), Expected = 54.52, Std = 2.1000, ChiSquare = 7.6781e-01 D36 H = 8.58(D), Expected = 8.33, Std = 0.5700, ChiSquare = 6.6095e-01 D36 HA = 4.82(D), Expected = 4.61, Std = 0.3100, ChiSquare = 4.9814e-01 D36 HB2 = 2.76(D), Expected = 2.74, Std = 0.2900, ChiSquare = 9.4502e-01 D36 HB3 = 2.79(D), Expected = 2.70, Std = 0.2900, ChiSquare = 7.5630e-01 D36 N = 126.84(D), Expected = 120.73, Std = 4.2000, ChiSquare = 1.4573e-01 Q37 CA = 55.60(D), Expected = 56.62, Std = 2.1900, ChiSquare = 6.4139e-01 Q37 H = 8.64(D), Expected = 8.22, Std = 0.6200, ChiSquare = 4.9814e-01 Q37 HA = 4.58(D), Expected = 4.28, Std = 0.4400, ChiSquare = 4.9535e-01 Q37 HB2 = 2.00(D), Expected = 2.05, Std = 0.2800, ChiSquare = 8.5827e-01 Q37 HB3 = 2.00(D), Expected = 2.04, Std = 0.2900, ChiSquare = 8.9030e-01 Q37 HG2 = 2.30(D), Expected = 2.32, Std = 0.2900, ChiSquare = 9.4502e-01 Q37 HG3 = 2.36(D), Expected = 2.32, Std = 0.2900, ChiSquare = 8.9030e-01 Q37 HE21 = 7.65(D), Expected = 7.17, Std = 0.4600, ChiSquare = 2.9673e-01 Q37 HE22 = 6.87(D), Expected = 7.07, Std = 0.4900, ChiSquare = 6.8315e-01 Q37 N = 122.80(D), Expected = 119.92, Std = 4.0100, ChiSquare = 4.7263e-01 P38 CA = 61.27(D), Expected = 63.30, Std = 1.6400, ChiSquare = 2.1579e-01 P38 HA = 4.74(D), Expected = 4.41, Std = 0.3600, ChiSquare = 3.5932e-01 P38 HB2 = 1.81(D), Expected = 2.05, Std = 0.3900, ChiSquare = 5.3830e-01 P38 HB3 = 2.16(D), Expected = 2.05, Std = 0.3900, ChiSquare = 7.7790e-01 P38 HG2 = 1.62(D), Expected = 1.93, Std = 0.3600, ChiSquare = 3.8918e-01 P38 HG3 = 1.62(D), Expected = 1.92, Std = 0.3700, ChiSquare = 4.1747e-01 P38 HD2 = 3.83(D), Expected = 3.64, Std = 0.3600, ChiSquare = 5.9765e-01 P38 HD3 = 3.22(D), Expected = 3.63, Std = 0.4000, ChiSquare = 3.0536e-01 P39 C = 176.60(D), Expected = 176.70, Std = 1.6900, ChiSquare = 9.5282e-01 P39 CA = 62.80(D), Expected = 63.30, Std = 1.6400, ChiSquare = 7.6046e-01 P39 HA = 4.37(D), Expected = 4.41, Std = 0.3600, ChiSquare = 9.1153e-01 P39 HB2 = 1.83(D), Expected = 2.05, Std = 0.3900, ChiSquare = 5.7268e-01 P39 HB3 = 2.31(D), Expected = 2.05, Std = 0.3900, ChiSquare = 5.0499e-01 P39 HG2 = 2.01(D), Expected = 1.93, Std = 0.3600, ChiSquare = 8.2414e-01 P39 HG3 = 2.01(D), Expected = 1.92, Std = 0.3700, ChiSquare = 8.0782e-01 P39 HD2 = 3.76(D), Expected = 3.64, Std = 0.3600, ChiSquare = 7.3888e-01 P39 HD3 = 3.53(D), Expected = 3.63, Std = 0.4000, ChiSquare = 8.0259e-01 K40 C = 180.40(D), Expected = 176.46, Std = 2.0500, ChiSquare = 5.4612e-02 K40 CA = 56.40(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.4496e-01 K40 H = 8.43(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.4282e-01 K40 HA = 4.09(D), Expected = 4.28, Std = 0.4500, ChiSquare = 6.7286e-01 K40 HB2 = 1.82(D), Expected = 1.79, Std = 0.2500, ChiSquare = 9.0448e-01 K40 HB3 = 1.82(D), Expected = 1.78, Std = 0.2600, ChiSquare = 8.7773e-01 K40 HG2 = 1.39(D), Expected = 1.38, Std = 0.2700, ChiSquare = 9.7046e-01 K40 HG3 = 1.39(D), Expected = 1.37, Std = 0.2900, ChiSquare = 9.4502e-01 K40 N = 118.41(D), Expected = 121.16, Std = 4.1100, ChiSquare = 5.0343e-01 A41 C = 176.53(D), Expected = 177.80, Std = 2.1800, ChiSquare = 5.6018e-01 A41 CA = 53.38(D), Expected = 53.16, Std = 2.0600, ChiSquare = 9.1495e-01 A41 H = 7.90(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.1707e-01 A41 HA = 3.97(D), Expected = 4.26, Std = 0.4200, ChiSquare = 4.8989e-01 A41 N = 123.68(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.0320e-01 D42 C = 176.32(D), Expected = 176.41, Std = 1.7700, ChiSquare = 9.5945e-01 D42 CA = 53.80(D), Expected = 54.52, Std = 2.1000, ChiSquare = 7.3171e-01 D42 H = 8.14(D), Expected = 8.33, Std = 0.5700, ChiSquare = 7.3888e-01 D42 HA = 4.69(D), Expected = 4.61, Std = 0.3100, ChiSquare = 7.9636e-01 D42 HB2 = 2.56(D), Expected = 2.74, Std = 0.2900, ChiSquare = 5.3480e-01 D42 HB3 = 2.78(D), Expected = 2.70, Std = 0.2900, ChiSquare = 7.8265e-01 D42 N = 115.37(D), Expected = 120.73, Std = 4.2000, ChiSquare = 2.0189e-01 E43 C = 175.73(D), Expected = 176.93, Std = 2.1100, ChiSquare = 5.6955e-01 E43 CA = 55.67(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.2424e-01 E43 H = 7.92(D), Expected = 8.34, Std = 0.6100, ChiSquare = 4.9112e-01 E43 HA = 4.30(D), Expected = 4.26, Std = 0.4300, ChiSquare = 9.2589e-01 E43 HB2 = 1.90(D), Expected = 2.04, Std = 0.2200, ChiSquare = 5.2454e-01 E43 HB3 = 2.14(D), Expected = 2.04, Std = 0.2300, ChiSquare = 6.6372e-01 E43 HG2 = 2.21(D), Expected = 2.31, Std = 0.2100, ChiSquare = 6.3394e-01 E43 HG3 = 2.21(D), Expected = 2.31, Std = 0.2100, ChiSquare = 6.3394e-01 E43 N = 119.31(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.0968e-01 D44 CA = 52.90(D), Expected = 54.52, Std = 2.1000, ChiSquare = 4.4045e-01 D44 H = 8.58(D), Expected = 8.33, Std = 0.5700, ChiSquare = 6.6095e-01 D44 HA = 4.65(D), Expected = 4.61, Std = 0.3100, ChiSquare = 8.9733e-01 D44 HB2 = 2.61(D), Expected = 2.74, Std = 0.2900, ChiSquare = 6.5395e-01 D44 HB3 = 2.90(D), Expected = 2.70, Std = 0.2900, ChiSquare = 4.9041e-01 D44 N = 118.84(D), Expected = 120.73, Std = 4.2000, ChiSquare = 6.5271e-01 P45 C = 177.08(D), Expected = 176.70, Std = 1.6900, ChiSquare = 8.2209e-01 P45 CA = 64.30(D), Expected = 63.30, Std = 1.6400, ChiSquare = 5.4202e-01 P45 HA = 4.32(D), Expected = 4.41, Std = 0.3600, ChiSquare = 8.0259e-01 P45 HB2 = 1.94(D), Expected = 2.05, Std = 0.3900, ChiSquare = 7.7790e-01 P45 HB3 = 2.23(D), Expected = 2.05, Std = 0.3900, ChiSquare = 6.4441e-01 P45 HG2 = 2.40(D), Expected = 1.93, Std = 0.3600, ChiSquare = 1.9170e-01 P45 HG3 = 2.40(D), Expected = 1.92, Std = 0.3700, ChiSquare = 1.9453e-01 P45 HD2 = 3.83(D), Expected = 3.64, Std = 0.3600, ChiSquare = 5.9765e-01 P45 HD3 = 3.83(D), Expected = 3.63, Std = 0.4000, ChiSquare = 6.1707e-01 G46 C = 174.51(D), Expected = 174.04, Std = 1.9400, ChiSquare = 8.0857e-01 G46 CA = 45.25(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.5507e-01 G46 H = 8.68(D), Expected = 8.34, Std = 0.7400, ChiSquare = 6.4590e-01 G46 HA2 = 4.20(D), Expected = 3.95, Std = 0.4000, ChiSquare = 5.3197e-01 G46 HA3 = 3.78(D), Expected = 3.93, Std = 0.4000, ChiSquare = 7.0766e-01 G46 N = 106.70(D), Expected = 109.91, Std = 4.2900, ChiSquare = 4.5431e-01 T47 CA = 59.30(D), Expected = 62.15, Std = 2.7200, ChiSquare = 2.9473e-01 T47 H = 7.57(D), Expected = 8.27, Std = 0.6200, ChiSquare = 2.5888e-01 T47 HA = 4.69(D), Expected = 4.48, Std = 0.5000, ChiSquare = 6.7449e-01 T47 HB = 4.17(D), Expected = 4.17, Std = 0.3700, ChiSquare = 1.0000e+00 T47 HG2 = 1.30(D), Expected = 1.16, Std = 0.2800, ChiSquare = 6.1707e-01 T47 N = 115.84(D), Expected = 115.70, Std = 5.0500, ChiSquare = 9.7788e-01 P48 C = 176.36(D), Expected = 176.70, Std = 1.6900, ChiSquare = 8.4056e-01 P48 CA = 63.18(D), Expected = 63.30, Std = 1.6400, ChiSquare = 9.4167e-01 P48 HA = 4.56(D), Expected = 4.41, Std = 0.3600, ChiSquare = 6.7692e-01 P48 HB2 = 1.80(D), Expected = 2.05, Std = 0.3900, ChiSquare = 5.2151e-01 P48 HB3 = 2.22(D), Expected = 2.05, Std = 0.3900, ChiSquare = 6.6291e-01 P48 HG2 = 1.93(D), Expected = 1.93, Std = 0.3600, ChiSquare = 1.0000e+00 P48 HG3 = 2.11(D), Expected = 1.92, Std = 0.3700, ChiSquare = 6.0759e-01 P48 HD2 = 4.04(D), Expected = 3.64, Std = 0.3600, ChiSquare = 2.6652e-01 P48 HD3 = 3.72(D), Expected = 3.63, Std = 0.4000, ChiSquare = 8.2198e-01 K49 CA = 52.92(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.1470e-02 K49 H = 9.26(D), Expected = 8.22, Std = 0.6400, ChiSquare = 1.0416e-01 K49 HA = 5.07(D), Expected = 4.28, Std = 0.4500, ChiSquare = 7.9164e-02 K49 HB2 = 2.30(D), Expected = 1.79, Std = 0.2500, ChiSquare = 4.1350e-02 K49 HB3 = 2.30(D), Expected = 1.78, Std = 0.2600, ChiSquare = 4.5500e-02 K49 HG2 = 1.67(D), Expected = 1.38, Std = 0.2700, ChiSquare = 2.8279e-01 K49 HG3 = 1.67(D), Expected = 1.37, Std = 0.2900, ChiSquare = 3.0091e-01 K49 HD2 = 1.85(D), Expected = 1.61, Std = 0.2500, ChiSquare = 3.3706e-01 K49 HD3 = 1.85(D), Expected = 1.61, Std = 0.2500, ChiSquare = 3.3706e-01 K49 N = 122.39(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.6473e-01 P50 C = 176.12(D), Expected = 176.70, Std = 1.6900, ChiSquare = 7.3145e-01 P50 CA = 62.42(D), Expected = 63.30, Std = 1.6400, ChiSquare = 5.9155e-01 P50 HA = 4.97(D), Expected = 4.41, Std = 0.3600, ChiSquare = 1.1981e-01 P50 HB2 = 2.25(D), Expected = 2.05, Std = 0.3900, ChiSquare = 6.0808e-01 P50 HB3 = 2.41(D), Expected = 2.05, Std = 0.3900, ChiSquare = 3.5597e-01 P50 HG2 = 2.14(D), Expected = 1.93, Std = 0.3600, ChiSquare = 5.5967e-01 P50 HG3 = 2.19(D), Expected = 1.92, Std = 0.3700, ChiSquare = 4.6556e-01 P50 HD2 = 3.94(D), Expected = 3.64, Std = 0.3600, ChiSquare = 4.0466e-01 P50 HD3 = 3.79(D), Expected = 3.63, Std = 0.4000, ChiSquare = 6.8916e-01 V51 C = 174.14(D), Expected = 175.69, Std = 2.0300, ChiSquare = 4.4514e-01 V51 CA = 59.54(D), Expected = 62.48, Std = 3.0400, ChiSquare = 3.3349e-01 V51 H = 8.62(D), Expected = 8.29, Std = 0.7100, ChiSquare = 6.4208e-01 V51 HA = 4.72(D), Expected = 4.16, Std = 0.5700, ChiSquare = 3.2588e-01 V51 HG1 = 0.83(D), Expected = 0.84, Std = 0.2700, ChiSquare = 9.7046e-01 V51 HG2 = 0.80(D), Expected = 0.83, Std = 0.2900, ChiSquare = 9.1761e-01 V51 N = 116.89(D), Expected = 121.02, Std = 4.9600, ChiSquare = 4.0504e-01 S52 C = 172.88(D), Expected = 174.53, Std = 1.7300, ChiSquare = 3.4021e-01 S52 CA = 56.98(D), Expected = 58.57, Std = 2.1200, ChiSquare = 4.5325e-01 S52 H = 8.58(D), Expected = 8.29, Std = 0.6200, ChiSquare = 6.3997e-01 S52 HA = 5.30(D), Expected = 4.51, Std = 0.4300, ChiSquare = 6.6179e-02 S52 HB2 = 3.83(D), Expected = 3.88, Std = 0.2900, ChiSquare = 8.6311e-01 S52 HB3 = 3.83(D), Expected = 3.87, Std = 0.3100, ChiSquare = 8.9733e-01 S52 N = 118.50(D), Expected = 116.30, Std = 3.9500, ChiSquare = 5.7755e-01 F53 C = 172.86(D), Expected = 175.49, Std = 2.1300, ChiSquare = 2.1693e-01 F53 CA = 55.62(D), Expected = 58.25, Std = 2.7300, ChiSquare = 3.3536e-01 F53 H = 8.66(D), Expected = 8.42, Std = 0.7400, ChiSquare = 7.4569e-01 F53 HA = 5.45(D), Expected = 4.62, Std = 0.5800, ChiSquare = 1.5242e-01 F53 HB2 = 3.32(D), Expected = 2.99, Std = 0.3700, ChiSquare = 3.7245e-01 F53 HB3 = 3.32(D), Expected = 2.97, Std = 0.3800, ChiSquare = 3.5702e-01 F53 HD1 = 6.71(D), Expected = 6.91, Std = 0.8200, ChiSquare = 8.0731e-01 F53 HD2 = 6.71(D), Expected = 6.89, Std = 0.8600, ChiSquare = 8.3421e-01 F53 HE1 = 6.82(D), Expected = 6.95, Std = 0.8200, ChiSquare = 8.7403e-01 F53 HE2 = 6.82(D), Expected = 6.94, Std = 0.8600, ChiSquare = 8.8903e-01 F53 HZ = 6.75(D), Expected = 6.92, Std = 0.8000, ChiSquare = 8.3172e-01 F53 N = 120.77(D), Expected = 120.69, Std = 4.1800, ChiSquare = 9.8473e-01 T54 C = 175.97(D), Expected = 174.60, Std = 1.8000, ChiSquare = 4.4659e-01 T54 CA = 58.40(D), Expected = 62.15, Std = 2.7200, ChiSquare = 1.6799e-01 T54 H = 9.18(D), Expected = 8.27, Std = 0.6200, ChiSquare = 1.4217e-01 T54 HA = 5.65(D), Expected = 4.48, Std = 0.5000, ChiSquare = 1.9284e-02 T54 HB = 4.14(D), Expected = 4.17, Std = 0.3700, ChiSquare = 9.3538e-01 T54 HG2 = 1.19(D), Expected = 1.16, Std = 0.2800, ChiSquare = 9.1468e-01 T54 N = 110.71(D), Expected = 115.70, Std = 5.0500, ChiSquare = 3.2309e-01 V55 C = 173.63(D), Expected = 175.69, Std = 2.0300, ChiSquare = 3.1021e-01 V55 CA = 58.12(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.5151e-01 V55 H = 9.01(D), Expected = 8.29, Std = 0.7100, ChiSquare = 3.1054e-01 V55 HA = 5.36(D), Expected = 4.16, Std = 0.5700, ChiSquare = 3.5268e-02 V55 HB = 2.18(D), Expected = 1.99, Std = 0.3300, ChiSquare = 5.6478e-01 V55 HG1 = 1.09(D), Expected = 0.84, Std = 0.2700, ChiSquare = 3.5448e-01 V55 HG2 = 0.80(D), Expected = 0.83, Std = 0.2900, ChiSquare = 9.1761e-01 V55 N = 113.27(D), Expected = 121.02, Std = 4.9600, ChiSquare = 1.1817e-01 K56 C = 173.98(D), Expected = 176.46, Std = 2.0500, ChiSquare = 2.2637e-01 K56 CA = 54.12(D), Expected = 56.84, Std = 2.2500, ChiSquare = 2.2671e-01 K56 H = 9.31(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.8545e-02 K56 HA = 5.74(D), Expected = 4.28, Std = 0.4500, ChiSquare = 1.1768e-03 K56 HB2 = 1.83(D), Expected = 1.79, Std = 0.2500, ChiSquare = 8.7288e-01 K56 HB3 = 1.60(D), Expected = 1.78, Std = 0.2600, ChiSquare = 4.8874e-01 K56 HG2 = 1.38(D), Expected = 1.38, Std = 0.2700, ChiSquare = 1.0000e+00 K56 HG3 = 1.38(D), Expected = 1.37, Std = 0.2900, ChiSquare = 9.7249e-01 K56 HD2 = 1.24(D), Expected = 1.61, Std = 0.2500, ChiSquare = 1.3887e-01 K56 HD3 = 1.03(D), Expected = 1.61, Std = 0.2500, ChiSquare = 2.0341e-02 K56 HE2 = 2.81(D), Expected = 2.93, Std = 0.2000, ChiSquare = 5.4851e-01 K56 HE3 = 3.05(D), Expected = 2.93, Std = 0.2000, ChiSquare = 5.4851e-01 K56 N = 120.87(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.4375e-01 E57 C = 175.50(D), Expected = 176.93, Std = 2.1100, ChiSquare = 4.9795e-01 E57 CA = 57.56(D), Expected = 57.42, Std = 2.1900, ChiSquare = 9.4903e-01 E57 H = 8.50(D), Expected = 8.34, Std = 0.6100, ChiSquare = 7.9309e-01 E57 HA = 2.79(S), Expected = 4.26, Std = 0.4300, ChiSquare = 6.2943e-04 E57 HB2 = 1.82(D), Expected = 2.04, Std = 0.2200, ChiSquare = 3.1731e-01 E57 HB3 = 1.82(D), Expected = 2.04, Std = 0.2300, ChiSquare = 3.3881e-01 E57 HG2 = 1.92(D), Expected = 2.31, Std = 0.2100, ChiSquare = 6.3291e-02 E57 HG3 = 2.11(D), Expected = 2.31, Std = 0.2100, ChiSquare = 3.4090e-01 E57 N = 129.29(D), Expected = 120.68, Std = 3.6800, ChiSquare = 1.9301e-02 T58 C = 174.26(D), Expected = 174.60, Std = 1.8000, ChiSquare = 8.5018e-01 T58 CA = 60.42(D), Expected = 62.15, Std = 2.7200, ChiSquare = 5.2476e-01 T58 H = 7.97(D), Expected = 8.27, Std = 0.6200, ChiSquare = 6.2848e-01 T58 HA = 5.21(D), Expected = 4.48, Std = 0.5000, ChiSquare = 1.4429e-01 T58 HB = 4.14(D), Expected = 4.17, Std = 0.3700, ChiSquare = 9.3538e-01 T58 HG2 = 0.95(D), Expected = 1.16, Std = 0.2800, ChiSquare = 4.5325e-01 T58 N = 114.21(D), Expected = 115.70, Std = 5.0500, ChiSquare = 7.6796e-01 V59 C = 177.53(D), Expected = 175.69, Std = 2.0300, ChiSquare = 3.6472e-01 V59 CA = 61.08(D), Expected = 62.48, Std = 3.0400, ChiSquare = 6.4514e-01 V59 H = 7.93(D), Expected = 8.29, Std = 0.7100, ChiSquare = 6.1213e-01 V59 HA = 4.11(D), Expected = 4.16, Std = 0.5700, ChiSquare = 9.3010e-01 V59 HB = 2.51(D), Expected = 1.99, Std = 0.3300, ChiSquare = 1.1508e-01 V59 HG1 = 0.99(D), Expected = 0.84, Std = 0.2700, ChiSquare = 5.7851e-01 V59 HG2 = 0.88(D), Expected = 0.83, Std = 0.2900, ChiSquare = 8.6311e-01 V59 N = 105.27(D), Expected = 121.02, Std = 4.9600, ChiSquare = 1.4963e-03 C60 CA = 52.43(D), Expected = 57.43, Std = 3.4100, ChiSquare = 1.4257e-01 C60 H = 8.26(D), Expected = 8.42, Std = 0.6600, ChiSquare = 8.0845e-01 C60 HA = 4.55(D), Expected = 4.73, Std = 0.5700, ChiSquare = 7.5216e-01 C60 HB2 = 2.85(D), Expected = 2.95, Std = 0.4300, ChiSquare = 8.1610e-01 C60 HB3 = 3.45(D), Expected = 2.98, Std = 0.4500, ChiSquare = 2.9628e-01 C60 N = 121.53(D), Expected = 119.95, Std = 4.7900, ChiSquare = 7.4151e-01 P61 C = 177.30(D), Expected = 176.70, Std = 1.6900, ChiSquare = 7.2257e-01 P61 CA = 62.03(D), Expected = 63.30, Std = 1.6400, ChiSquare = 4.3870e-01 P61 HA = 4.94(D), Expected = 4.41, Std = 0.3600, ChiSquare = 1.4096e-01 P61 HB2 = 1.94(D), Expected = 2.05, Std = 0.3900, ChiSquare = 7.7790e-01 P61 HB3 = 2.51(D), Expected = 2.05, Std = 0.3900, ChiSquare = 2.3820e-01 P61 HG2 = 2.03(D), Expected = 1.93, Std = 0.3600, ChiSquare = 7.8118e-01 P61 HG3 = 2.13(D), Expected = 1.92, Std = 0.3700, ChiSquare = 5.7033e-01 P61 HD2 = 4.25(D), Expected = 3.64, Std = 0.3600, ChiSquare = 9.0181e-02 P61 HD3 = 3.58(D), Expected = 3.63, Std = 0.4000, ChiSquare = 9.0052e-01 R62 CA = 60.89(D), Expected = 56.95, Std = 2.4100, ChiSquare = 1.0208e-01 R62 H = 9.27(D), Expected = 8.24, Std = 0.6000, ChiSquare = 8.6040e-02 R62 HA = 3.96(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.8109e-01 R62 HB2 = 1.55(D), Expected = 1.79, Std = 0.2800, ChiSquare = 3.9137e-01 R62 HB3 = 1.55(D), Expected = 1.78, Std = 0.2800, ChiSquare = 4.1140e-01 R62 HG2 = 1.33(D), Expected = 1.58, Std = 0.2700, ChiSquare = 3.5448e-01 R62 HG3 = 1.33(D), Expected = 1.58, Std = 0.2700, ChiSquare = 3.5448e-01 R62 HD2 = 3.20(D), Expected = 3.13, Std = 0.2300, ChiSquare = 7.6086e-01 R62 HD3 = 3.28(D), Expected = 3.13, Std = 0.2200, ChiSquare = 4.9535e-01 R62 N = 126.14(D), Expected = 120.61, Std = 3.9000, ChiSquare = 1.5621e-01 P63 C = 176.92(D), Expected = 176.70, Std = 1.6900, ChiSquare = 8.9643e-01 P63 CA = 64.22(D), Expected = 63.30, Std = 1.6400, ChiSquare = 5.7481e-01 P63 HA = 4.54(D), Expected = 4.41, Std = 0.3600, ChiSquare = 7.1802e-01 P63 HB2 = 1.90(D), Expected = 2.05, Std = 0.3900, ChiSquare = 7.0052e-01 P63 HB3 = 2.34(D), Expected = 2.05, Std = 0.3900, ChiSquare = 4.5712e-01 P63 HG2 = 2.03(D), Expected = 1.93, Std = 0.3600, ChiSquare = 7.8118e-01 P63 HG3 = 2.03(D), Expected = 1.92, Std = 0.3700, ChiSquare = 7.6624e-01 P63 HD2 = 3.83(D), Expected = 3.64, Std = 0.3600, ChiSquare = 5.9765e-01 P63 HD3 = 3.44(D), Expected = 3.63, Std = 0.4000, ChiSquare = 6.3479e-01 T64 C = 174.97(D), Expected = 174.60, Std = 1.8000, ChiSquare = 8.3714e-01 T64 CA = 63.46(D), Expected = 62.15, Std = 2.7200, ChiSquare = 6.3008e-01 T64 H = 7.55(D), Expected = 8.27, Std = 0.6200, ChiSquare = 2.4552e-01 T64 HA = 4.10(D), Expected = 4.48, Std = 0.5000, ChiSquare = 4.4725e-01 T64 HB = 4.28(D), Expected = 4.17, Std = 0.3700, ChiSquare = 7.6624e-01 T64 HG2 = 1.32(D), Expected = 1.16, Std = 0.2800, ChiSquare = 5.6771e-01 T64 N = 110.10(D), Expected = 115.70, Std = 5.0500, ChiSquare = 2.6747e-01 R65 C = 175.69(D), Expected = 176.49, Std = 2.1600, ChiSquare = 7.1111e-01 R65 CA = 55.95(D), Expected = 56.95, Std = 2.4100, ChiSquare = 6.7819e-01 R65 H = 8.20(D), Expected = 8.24, Std = 0.6000, ChiSquare = 9.4685e-01 R65 HA = 4.17(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.2021e-01 R65 HB2 = 2.04(D), Expected = 1.79, Std = 0.2800, ChiSquare = 3.7193e-01 R65 HB3 = 2.04(D), Expected = 1.78, Std = 0.2800, ChiSquare = 3.5311e-01 R65 HG2 = 1.65(D), Expected = 1.58, Std = 0.2700, ChiSquare = 7.9544e-01 R65 HG3 = 1.80(D), Expected = 1.58, Std = 0.2700, ChiSquare = 4.1518e-01 R65 HD2 = 3.21(D), Expected = 3.13, Std = 0.2300, ChiSquare = 7.2797e-01 R65 HD3 = 3.21(D), Expected = 3.13, Std = 0.2200, ChiSquare = 7.1613e-01 R65 N = 119.28(D), Expected = 120.61, Std = 3.9000, ChiSquare = 7.3308e-01 Q66 CA = 54.00(D), Expected = 56.62, Std = 2.1900, ChiSquare = 2.3156e-01 Q66 H = 7.43(D), Expected = 8.22, Std = 0.6200, ChiSquare = 2.0259e-01 Q66 HA = 4.49(D), Expected = 4.28, Std = 0.4400, ChiSquare = 6.3317e-01 Q66 HB2 = 1.88(D), Expected = 2.05, Std = 0.2800, ChiSquare = 5.4376e-01 Q66 HB3 = 1.88(D), Expected = 2.04, Std = 0.2900, ChiSquare = 5.8114e-01 Q66 HG2 = 2.04(D), Expected = 2.32, Std = 0.2900, ChiSquare = 3.3429e-01 Q66 HG3 = 2.26(D), Expected = 2.32, Std = 0.2900, ChiSquare = 8.3609e-01 Q66 N = 120.19(D), Expected = 119.92, Std = 4.0100, ChiSquare = 9.4632e-01 P67 CA = 60.73(D), Expected = 63.30, Std = 1.6400, ChiSquare = 1.1710e-01 P67 HA = 4.65(D), Expected = 4.41, Std = 0.3600, ChiSquare = 5.0499e-01 P67 HB2 = 1.82(D), Expected = 2.05, Std = 0.3900, ChiSquare = 5.5536e-01 P67 HB3 = 2.37(D), Expected = 2.05, Std = 0.3900, ChiSquare = 4.1192e-01 P67 HG2 = 2.00(D), Expected = 1.93, Std = 0.3600, ChiSquare = 8.4583e-01 P67 HG3 = 2.10(D), Expected = 1.92, Std = 0.3700, ChiSquare = 6.2662e-01 P67 HD2 = 3.89(D), Expected = 3.64, Std = 0.3600, ChiSquare = 4.8740e-01 P67 HD3 = 3.54(D), Expected = 3.63, Std = 0.4000, ChiSquare = 8.2198e-01 P68 C = 177.80(D), Expected = 176.70, Std = 1.6900, ChiSquare = 5.1512e-01 P68 CA = 65.36(D), Expected = 63.30, Std = 1.6400, ChiSquare = 2.0908e-01 P68 HA = 3.79(D), Expected = 4.41, Std = 0.3600, ChiSquare = 8.5029e-02 P68 HB2 = 2.00(D), Expected = 2.05, Std = 0.3900, ChiSquare = 8.9799e-01 P68 HB3 = 2.22(D), Expected = 2.05, Std = 0.3900, ChiSquare = 6.6291e-01 P68 HG2 = 2.00(D), Expected = 1.93, Std = 0.3600, ChiSquare = 8.4583e-01 P68 HG3 = 2.00(D), Expected = 1.92, Std = 0.3700, ChiSquare = 8.2882e-01 P68 HD2 = 4.00(D), Expected = 3.64, Std = 0.3600, ChiSquare = 3.1731e-01 P68 HD3 = 3.88(D), Expected = 3.63, Std = 0.4000, ChiSquare = 5.3197e-01 E69 C = 176.61(D), Expected = 176.93, Std = 2.1100, ChiSquare = 8.7946e-01 E69 CA = 57.86(D), Expected = 57.42, Std = 2.1900, ChiSquare = 8.4077e-01 E69 H = 8.33(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.8692e-01 E69 HA = 3.81(D), Expected = 4.26, Std = 0.4300, ChiSquare = 2.9532e-01 E69 HB2 = 1.90(D), Expected = 2.04, Std = 0.2200, ChiSquare = 5.2454e-01 E69 HB3 = 2.01(D), Expected = 2.04, Std = 0.2300, ChiSquare = 8.9622e-01 E69 HG2 = 2.21(D), Expected = 2.31, Std = 0.2100, ChiSquare = 6.3394e-01 E69 HG3 = 2.21(D), Expected = 2.31, Std = 0.2100, ChiSquare = 6.3394e-01 E69 N = 111.70(D), Expected = 120.68, Std = 3.6800, ChiSquare = 1.4678e-02 L70 C = 176.83(D), Expected = 176.97, Std = 2.0900, ChiSquare = 9.4659e-01 L70 CA = 53.97(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.4715e-01 L70 H = 7.75(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.6963e-01 L70 HA = 4.34(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.6606e-01 L70 HB2 = 1.70(D), Expected = 1.63, Std = 0.3400, ChiSquare = 8.3688e-01 L70 HB3 = 1.70(D), Expected = 1.57, Std = 0.3600, ChiSquare = 7.1802e-01 L70 HG = 1.53(D), Expected = 1.54, Std = 0.3300, ChiSquare = 9.7583e-01 L70 HD1 = 0.80(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.1153e-01 L70 HD2 = 0.78(D), Expected = 0.76, Std = 0.2800, ChiSquare = 9.4306e-01 L70 N = 117.11(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.3148e-01 C71 C = 172.79(D), Expected = 174.78, Std = 1.9900, ChiSquare = 3.1731e-01 C71 CA = 56.00(D), Expected = 57.43, Std = 3.4100, ChiSquare = 6.7496e-01 C71 H = 7.74(D), Expected = 8.42, Std = 0.6600, ChiSquare = 3.0287e-01 C71 HA = 4.52(D), Expected = 4.73, Std = 0.5700, ChiSquare = 7.1256e-01 C71 HB2 = 3.57(D), Expected = 2.95, Std = 0.4300, ChiSquare = 1.4934e-01 C71 HB3 = 2.55(D), Expected = 2.98, Std = 0.4500, ChiSquare = 3.3930e-01 C71 N = 121.08(D), Expected = 119.95, Std = 4.7900, ChiSquare = 8.1350e-01 D72 C = 176.19(D), Expected = 176.41, Std = 1.7700, ChiSquare = 9.0108e-01 D72 CA = 54.10(D), Expected = 54.52, Std = 2.1000, ChiSquare = 8.4148e-01 D72 H = 8.47(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.0598e-01 D72 HA = 4.16(D), Expected = 4.61, Std = 0.3100, ChiSquare = 1.4661e-01 D72 HB2 = 2.41(D), Expected = 2.74, Std = 0.2900, ChiSquare = 2.5515e-01 D72 HB3 = 2.61(D), Expected = 2.70, Std = 0.2900, ChiSquare = 7.5630e-01 D72 N = 123.48(D), Expected = 120.73, Std = 4.2000, ChiSquare = 5.1262e-01 F73 C = 176.37(D), Expected = 175.49, Std = 2.1300, ChiSquare = 6.7950e-01 F73 CA = 59.48(D), Expected = 58.25, Std = 2.7300, ChiSquare = 6.5231e-01 F73 H = 8.15(D), Expected = 8.42, Std = 0.7400, ChiSquare = 7.1521e-01 F73 HA = 4.33(D), Expected = 4.62, Std = 0.5800, ChiSquare = 6.1707e-01 F73 HB2 = 2.75(D), Expected = 2.99, Std = 0.3700, ChiSquare = 5.1657e-01 F73 HB3 = 2.80(D), Expected = 2.97, Std = 0.3800, ChiSquare = 6.5461e-01 F73 HD1 = 7.16(D), Expected = 6.91, Std = 0.8200, ChiSquare = 7.6046e-01 F73 HD2 = 7.16(D), Expected = 6.89, Std = 0.8600, ChiSquare = 7.5356e-01 F73 HE1 = 7.31(D), Expected = 6.95, Std = 0.8200, ChiSquare = 6.6064e-01 F73 HE2 = 7.31(D), Expected = 6.94, Std = 0.8600, ChiSquare = 6.6703e-01 F73 HZ = 7.51(D), Expected = 6.92, Std = 0.8000, ChiSquare = 4.6082e-01 F73 N = 117.57(D), Expected = 120.69, Std = 4.1800, ChiSquare = 4.5542e-01 K74 C = 177.48(D), Expected = 176.46, Std = 2.0500, ChiSquare = 6.1879e-01 K74 CA = 55.63(D), Expected = 56.84, Std = 2.2500, ChiSquare = 5.9073e-01 K74 H = 9.06(D), Expected = 8.22, Std = 0.6400, ChiSquare = 1.8935e-01 K74 HA = 4.04(D), Expected = 4.28, Std = 0.4500, ChiSquare = 5.9380e-01 K74 HB2 = 1.35(D), Expected = 1.79, Std = 0.2500, ChiSquare = 7.8408e-02 K74 HB3 = 1.15(D), Expected = 1.78, Std = 0.2600, ChiSquare = 1.5390e-02 K74 HG2 = 1.27(D), Expected = 1.38, Std = 0.2700, ChiSquare = 6.8371e-01 K74 HG3 = 1.23(D), Expected = 1.37, Std = 0.2900, ChiSquare = 6.2927e-01 K74 HD2 = 1.42(D), Expected = 1.61, Std = 0.2500, ChiSquare = 4.4725e-01 K74 HD3 = 1.34(D), Expected = 1.61, Std = 0.2500, ChiSquare = 2.8014e-01 K74 HE2 = 2.87(D), Expected = 2.93, Std = 0.2000, ChiSquare = 7.6418e-01 K74 HE3 = 2.87(D), Expected = 2.93, Std = 0.2000, ChiSquare = 7.6418e-01 K74 N = 124.56(D), Expected = 121.16, Std = 4.1100, ChiSquare = 4.0810e-01 E75 C = 177.60(D), Expected = 176.93, Std = 2.1100, ChiSquare = 7.5084e-01 E75 CA = 58.40(D), Expected = 57.42, Std = 2.1900, ChiSquare = 6.5452e-01 E75 H = 8.99(D), Expected = 8.34, Std = 0.6100, ChiSquare = 2.8662e-01 E75 HA = 4.01(D), Expected = 4.26, Std = 0.4300, ChiSquare = 5.6097e-01 E75 HB2 = 1.90(D), Expected = 2.04, Std = 0.2200, ChiSquare = 5.2454e-01 E75 HB3 = 2.00(D), Expected = 2.04, Std = 0.2300, ChiSquare = 8.6193e-01 E75 HG2 = 2.25(D), Expected = 2.31, Std = 0.2100, ChiSquare = 7.7510e-01 E75 HG3 = 2.25(D), Expected = 2.31, Std = 0.2100, ChiSquare = 7.7510e-01 E75 N = 130.39(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.3252e-03 N76 C = 175.72(D), Expected = 175.16, Std = 1.7600, ChiSquare = 7.5035e-01 N76 CA = 53.50(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.7122e-01 N76 H = 8.93(D), Expected = 8.37, Std = 0.6500, ChiSquare = 3.8894e-01 N76 HA = 4.62(D), Expected = 4.70, Std = 0.3900, ChiSquare = 8.3747e-01 N76 HB2 = 2.96(D), Expected = 2.80, Std = 0.3400, ChiSquare = 6.3793e-01 N76 HB3 = 2.89(D), Expected = 2.78, Std = 0.3400, ChiSquare = 7.4629e-01 N76 HD21 = 7.61(D), Expected = 7.27, Std = 0.5200, ChiSquare = 5.1321e-01 N76 HD22 = 6.92(D), Expected = 7.20, Std = 0.5200, ChiSquare = 5.9026e-01 N76 N = 119.40(D), Expected = 119.13, Std = 4.4200, ChiSquare = 9.5129e-01 G77 C = 172.33(D), Expected = 174.04, Std = 1.9400, ChiSquare = 3.7808e-01 G77 CA = 45.50(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.0471e-01 G77 H = 7.88(D), Expected = 8.34, Std = 0.7400, ChiSquare = 5.3419e-01 G77 HA2 = 3.94(D), Expected = 3.95, Std = 0.4000, ChiSquare = 9.8006e-01 G77 HA3 = 3.45(D), Expected = 3.93, Std = 0.4000, ChiSquare = 2.3014e-01 G77 N = 104.68(D), Expected = 109.91, Std = 4.2900, ChiSquare = 2.2280e-01 R78 C = 175.30(D), Expected = 176.49, Std = 2.1600, ChiSquare = 5.8168e-01 R78 CA = 57.35(D), Expected = 56.95, Std = 2.4100, ChiSquare = 8.6818e-01 R78 H = 8.96(D), Expected = 8.24, Std = 0.6000, ChiSquare = 2.3014e-01 R78 HA = 4.24(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.4564e-01 R78 HB2 = 1.90(D), Expected = 1.79, Std = 0.2800, ChiSquare = 6.9442e-01 R78 HB3 = 2.40(D), Expected = 1.78, Std = 0.2800, ChiSquare = 2.6809e-02 R78 HG2 = 1.81(D), Expected = 1.58, Std = 0.2700, ChiSquare = 3.9430e-01 R78 HG3 = 1.81(D), Expected = 1.58, Std = 0.2700, ChiSquare = 3.9430e-01 R78 HD2 = 3.30(D), Expected = 3.13, Std = 0.2300, ChiSquare = 4.5983e-01 R78 HD3 = 3.30(D), Expected = 3.13, Std = 0.2200, ChiSquare = 4.3968e-01 R78 N = 123.54(D), Expected = 120.61, Std = 3.9000, ChiSquare = 4.5248e-01 V79 C = 176.17(D), Expected = 175.69, Std = 2.0300, ChiSquare = 8.1308e-01 V79 CA = 60.63(D), Expected = 62.48, Std = 3.0400, ChiSquare = 5.4282e-01 V79 H = 8.67(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.9250e-01 V79 HA = 5.19(D), Expected = 4.16, Std = 0.5700, ChiSquare = 7.0760e-02 V79 HB = 1.89(D), Expected = 1.99, Std = 0.3300, ChiSquare = 7.6187e-01 V79 HG1 = 0.97(D), Expected = 0.84, Std = 0.2700, ChiSquare = 6.3017e-01 V79 HG2 = 0.93(D), Expected = 0.83, Std = 0.2900, ChiSquare = 7.3022e-01 V79 N = 120.61(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.3412e-01 K80 C = 174.05(D), Expected = 176.46, Std = 2.0500, ChiSquare = 2.3975e-01 K80 CA = 53.75(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.6965e-01 K80 H = 8.84(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.3267e-01 K80 HA = 5.12(D), Expected = 4.28, Std = 0.4500, ChiSquare = 6.1948e-02 K80 HB2 = 1.37(D), Expected = 1.79, Std = 0.2500, ChiSquare = 9.2957e-02 K80 HB3 = 1.27(D), Expected = 1.78, Std = 0.2600, ChiSquare = 4.9816e-02 K80 HG2 = 1.03(D), Expected = 1.38, Std = 0.2700, ChiSquare = 1.9487e-01 K80 HG3 = 1.03(D), Expected = 1.37, Std = 0.2900, ChiSquare = 2.4103e-01 K80 HD2 = 1.09(D), Expected = 1.61, Std = 0.2500, ChiSquare = 3.7526e-02 K80 HD3 = 1.09(D), Expected = 1.61, Std = 0.2500, ChiSquare = 3.7526e-02 K80 N = 120.81(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.3214e-01 Q81 C = 175.28(D), Expected = 176.39, Std = 1.9600, ChiSquare = 5.7117e-01 Q81 CA = 54.28(D), Expected = 56.62, Std = 2.1900, ChiSquare = 2.8530e-01 Q81 H = 8.81(D), Expected = 8.22, Std = 0.6200, ChiSquare = 3.4129e-01 Q81 HA = 4.74(D), Expected = 4.28, Std = 0.4400, ChiSquare = 2.9581e-01 Q81 HB2 = 2.06(D), Expected = 2.05, Std = 0.2800, ChiSquare = 9.7151e-01 Q81 HB3 = 1.88(D), Expected = 2.04, Std = 0.2900, ChiSquare = 5.8114e-01 Q81 HG2 = 2.18(D), Expected = 2.32, Std = 0.2900, ChiSquare = 6.2927e-01 Q81 HG3 = 2.18(D), Expected = 2.32, Std = 0.2900, ChiSquare = 6.2927e-01 Q81 HE21 = 7.02(D), Expected = 7.17, Std = 0.4600, ChiSquare = 7.4436e-01 Q81 HE22 = 6.80(D), Expected = 7.07, Std = 0.4900, ChiSquare = 5.8162e-01 Q81 N = 121.14(D), Expected = 119.92, Std = 4.0100, ChiSquare = 7.6095e-01 C82 C = 172.76(D), Expected = 174.78, Std = 1.9900, ChiSquare = 3.1007e-01 C82 CA = 54.60(D), Expected = 57.43, Std = 3.4100, ChiSquare = 4.0659e-01 C82 H = 9.38(D), Expected = 8.42, Std = 0.6600, ChiSquare = 1.4579e-01 C82 HA = 5.44(D), Expected = 4.73, Std = 0.5700, ChiSquare = 2.1291e-01 C82 HB2 = 1.84(D), Expected = 2.95, Std = 0.4300, ChiSquare = 9.8402e-03 C82 HB3 = 1.02(S), Expected = 2.98, Std = 0.4500, ChiSquare = 1.3273e-05 C82 N = 126.96(D), Expected = 119.95, Std = 4.7900, ChiSquare = 1.4334e-01 V83 C = 175.11(D), Expected = 175.69, Std = 2.0300, ChiSquare = 7.7510e-01 V83 CA = 59.31(D), Expected = 62.48, Std = 3.0400, ChiSquare = 2.9706e-01 V83 H = 8.53(D), Expected = 8.29, Std = 0.7100, ChiSquare = 7.3534e-01 V83 HA = 5.07(D), Expected = 4.16, Std = 0.5700, ChiSquare = 1.1038e-01 V83 HB = 2.13(D), Expected = 1.99, Std = 0.3300, ChiSquare = 6.7139e-01 V83 HG1 = 0.98(D), Expected = 0.84, Std = 0.2700, ChiSquare = 6.0410e-01 V83 HG2 = 0.92(D), Expected = 0.83, Std = 0.2900, ChiSquare = 7.5630e-01 V83 N = 117.02(D), Expected = 121.02, Std = 4.9600, ChiSquare = 4.1998e-01 G84 C = 173.06(D), Expected = 174.04, Std = 1.9400, ChiSquare = 6.1345e-01 G84 CA = 45.43(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.4386e-01 G84 H = 8.02(D), Expected = 8.34, Std = 0.7400, ChiSquare = 6.6543e-01 G84 HA2 = 5.01(D), Expected = 3.95, Std = 0.4000, ChiSquare = 8.0492e-03 G84 HA3 = 4.38(D), Expected = 3.93, Std = 0.4000, ChiSquare = 2.6059e-01 G84 N = 110.46(D), Expected = 109.91, Std = 4.2900, ChiSquare = 8.9799e-01 T85 C = 173.15(D), Expected = 174.60, Std = 1.8000, ChiSquare = 4.2050e-01 T85 CA = 60.23(D), Expected = 62.15, Std = 2.7200, ChiSquare = 4.8026e-01 T85 H = 8.93(D), Expected = 8.27, Std = 0.6200, ChiSquare = 2.8709e-01 T85 HA = 5.48(D), Expected = 4.48, Std = 0.5000, ChiSquare = 4.5500e-02 T85 HB = 3.90(D), Expected = 4.17, Std = 0.3700, ChiSquare = 4.6556e-01 T85 HG2 = 1.10(D), Expected = 1.16, Std = 0.2800, ChiSquare = 8.3032e-01 T85 N = 118.03(D), Expected = 115.70, Std = 5.0500, ChiSquare = 6.4452e-01 V86 CA = 59.14(D), Expected = 62.48, Std = 3.0400, ChiSquare = 2.7191e-01 V86 H = 8.85(D), Expected = 8.29, Std = 0.7100, ChiSquare = 4.3027e-01 V86 HA = 4.85(D), Expected = 4.16, Std = 0.5700, ChiSquare = 2.2608e-01 V86 HB = 2.00(D), Expected = 1.99, Std = 0.3300, ChiSquare = 9.7583e-01 V86 HG1 = 0.77(D), Expected = 0.84, Std = 0.2700, ChiSquare = 7.9544e-01 V86 HG2 = 0.70(D), Expected = 0.83, Std = 0.2900, ChiSquare = 6.5395e-01 V86 N = 113.14(D), Expected = 121.02, Std = 4.9600, ChiSquare = 1.1213e-01 T87 C = 176.85(D), Expected = 174.60, Std = 1.8000, ChiSquare = 2.1130e-01 T87 CA = 60.17(D), Expected = 62.15, Std = 2.7200, ChiSquare = 4.6665e-01 T87 H = 8.33(D), Expected = 8.27, Std = 0.6200, ChiSquare = 9.2291e-01 T87 HA = 4.72(D), Expected = 4.48, Std = 0.5000, ChiSquare = 6.3123e-01 T87 HB = 4.18(D), Expected = 4.17, Std = 0.3700, ChiSquare = 9.7844e-01 T87 HG2 = 1.14(D), Expected = 1.16, Std = 0.2800, ChiSquare = 9.4306e-01 T87 N = 115.30(D), Expected = 115.70, Std = 5.0500, ChiSquare = 9.3687e-01 L88 C = 176.96(D), Expected = 176.97, Std = 2.0900, ChiSquare = 9.9618e-01 L88 CA = 55.78(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.5309e-01 L88 H = 8.69(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.6963e-01 L88 HA = 4.21(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.1495e-01 L88 HB2 = 2.13(D), Expected = 1.63, Std = 0.3400, ChiSquare = 1.4140e-01 L88 HB3 = 1.68(D), Expected = 1.57, Std = 0.3600, ChiSquare = 7.5994e-01 L88 HG = 1.68(D), Expected = 1.54, Std = 0.3300, ChiSquare = 6.7139e-01 L88 HD1 = 0.65(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.5672e-01 L88 HD2 = 0.65(D), Expected = 0.76, Std = 0.2800, ChiSquare = 6.9442e-01 L88 N = 120.61(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.3641e-01 D89 C = 176.14(D), Expected = 176.41, Std = 1.7700, ChiSquare = 8.7876e-01 D89 CA = 53.59(D), Expected = 54.52, Std = 2.1000, ChiSquare = 6.5787e-01 D89 H = 7.94(D), Expected = 8.33, Std = 0.5700, ChiSquare = 4.9384e-01 D89 HA = 4.60(D), Expected = 4.61, Std = 0.3100, ChiSquare = 9.7427e-01 D89 HB2 = 2.50(D), Expected = 2.74, Std = 0.2900, ChiSquare = 4.0791e-01 D89 HB3 = 2.70(D), Expected = 2.70, Std = 0.2900, ChiSquare = 1.0000e+00 D89 N = 116.65(D), Expected = 120.73, Std = 4.2000, ChiSquare = 3.3134e-01 Q90 C = 175.74(D), Expected = 176.39, Std = 1.9600, ChiSquare = 7.4017e-01 Q90 CA = 55.67(D), Expected = 56.62, Std = 2.1900, ChiSquare = 6.6444e-01 Q90 H = 8.01(D), Expected = 8.22, Std = 0.6200, ChiSquare = 7.3483e-01 Q90 HA = 4.27(D), Expected = 4.28, Std = 0.4400, ChiSquare = 9.8187e-01 Q90 HB2 = 1.99(D), Expected = 2.05, Std = 0.2800, ChiSquare = 8.3032e-01 Q90 HB3 = 2.11(D), Expected = 2.04, Std = 0.2900, ChiSquare = 8.0926e-01 Q90 HG2 = 2.31(D), Expected = 2.32, Std = 0.2900, ChiSquare = 9.7249e-01 Q90 HG3 = 2.31(D), Expected = 2.32, Std = 0.2900, ChiSquare = 9.7249e-01 Q90 N = 119.26(D), Expected = 119.92, Std = 4.0100, ChiSquare = 8.6927e-01 I91 C = 176.27(D), Expected = 175.82, Std = 1.9500, ChiSquare = 8.1749e-01 I91 CA = 61.86(D), Expected = 61.59, Std = 2.7800, ChiSquare = 9.2263e-01 I91 H = 8.06(D), Expected = 8.26, Std = 0.7100, ChiSquare = 7.7818e-01 I91 HA = 4.06(D), Expected = 4.20, Std = 0.5600, ChiSquare = 8.0259e-01 I91 HB = 1.91(D), Expected = 1.80, Std = 0.3100, ChiSquare = 7.2271e-01 I91 HG2 = 0.84(D), Expected = 0.80, Std = 0.2900, ChiSquare = 8.9030e-01 I91 HG12 = 1.18(D), Expected = 1.30, Std = 0.4000, ChiSquare = 7.6418e-01 I91 HG13 = 1.40(D), Expected = 1.24, Std = 0.4000, ChiSquare = 6.8916e-01 I91 HD1 = 0.87(D), Expected = 0.70, Std = 0.3000, ChiSquare = 5.7094e-01 I91 N = 119.06(D), Expected = 121.60, Std = 4.7200, ChiSquare = 5.9048e-01 K92 C = 175.72(D), Expected = 176.46, Std = 2.0500, ChiSquare = 7.1812e-01 K92 CA = 55.90(D), Expected = 56.84, Std = 2.2500, ChiSquare = 6.7611e-01 K92 H = 8.09(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.3904e-01 K92 HA = 4.31(D), Expected = 4.28, Std = 0.4500, ChiSquare = 9.4685e-01 K92 HB2 = 1.72(D), Expected = 1.79, Std = 0.2500, ChiSquare = 7.7948e-01 K92 HB3 = 1.72(D), Expected = 1.78, Std = 0.2600, ChiSquare = 8.1749e-01 K92 HG2 = 1.35(D), Expected = 1.38, Std = 0.2700, ChiSquare = 9.1153e-01 K92 HG3 = 1.42(D), Expected = 1.37, Std = 0.2900, ChiSquare = 8.6311e-01 K92 HD2 = 1.66(D), Expected = 1.61, Std = 0.2500, ChiSquare = 8.4148e-01 K92 HD3 = 1.66(D), Expected = 1.61, Std = 0.2500, ChiSquare = 8.4148e-01 K92 HE2 = 2.98(D), Expected = 2.93, Std = 0.2000, ChiSquare = 8.0259e-01 K92 HE3 = 2.98(D), Expected = 2.93, Std = 0.2000, ChiSquare = 8.0259e-01 K92 N = 121.60(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.1474e-01 D93 CA = 52.84(D), Expected = 54.52, Std = 2.1000, ChiSquare = 4.2371e-01 D93 H = 8.09(D), Expected = 8.33, Std = 0.5700, ChiSquare = 6.7372e-01 D93 HA = 4.80(D), Expected = 4.61, Std = 0.3100, ChiSquare = 5.3994e-01 D93 HB2 = 2.51(D), Expected = 2.74, Std = 0.2900, ChiSquare = 4.2772e-01 D93 HB3 = 2.64(D), Expected = 2.70, Std = 0.2900, ChiSquare = 8.3609e-01 D93 N = 121.11(D), Expected = 120.73, Std = 4.2000, ChiSquare = 9.2791e-01 P94 C = 176.83(D), Expected = 176.70, Std = 1.6900, ChiSquare = 9.3868e-01 P94 CA = 63.24(D), Expected = 63.30, Std = 1.6400, ChiSquare = 9.7082e-01 P94 HA = 4.45(D), Expected = 4.41, Std = 0.3600, ChiSquare = 9.1153e-01 P94 HB2 = 1.85(D), Expected = 2.05, Std = 0.3900, ChiSquare = 6.0808e-01 P94 HB3 = 2.27(D), Expected = 2.05, Std = 0.3900, ChiSquare = 5.7268e-01 P94 HG2 = 1.97(D), Expected = 1.93, Std = 0.3600, ChiSquare = 9.1153e-01 P94 HG3 = 1.97(D), Expected = 1.92, Std = 0.3700, ChiSquare = 8.9251e-01 P94 HD2 = 3.80(D), Expected = 3.64, Std = 0.3600, ChiSquare = 6.5672e-01 P94 HD3 = 3.65(D), Expected = 3.63, Std = 0.4000, ChiSquare = 9.6012e-01 L95 C = 176.75(D), Expected = 176.97, Std = 2.0900, ChiSquare = 9.1617e-01 L95 CA = 54.87(D), Expected = 55.65, Std = 2.2100, ChiSquare = 7.2413e-01 L95 H = 8.40(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.8184e-01 L95 HA = 4.34(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.6606e-01 L95 HB2 = 1.63(D), Expected = 1.63, Std = 0.3400, ChiSquare = 1.0000e+00 L95 HB3 = 1.63(D), Expected = 1.57, Std = 0.3600, ChiSquare = 8.6763e-01 L95 HG = 1.74(D), Expected = 1.54, Std = 0.3300, ChiSquare = 5.4447e-01 L95 HD1 = 0.94(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.2894e-01 L95 HD2 = 1.00(D), Expected = 0.76, Std = 0.2800, ChiSquare = 3.9137e-01 L95 N = 121.75(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.5493e-01 D96 C = 174.95(D), Expected = 176.41, Std = 1.7700, ChiSquare = 4.0945e-01 D96 CA = 53.28(D), Expected = 54.52, Std = 2.1000, ChiSquare = 5.5487e-01 D96 H = 8.79(D), Expected = 8.33, Std = 0.5700, ChiSquare = 4.1966e-01 D96 HA = 4.83(D), Expected = 4.61, Std = 0.3100, ChiSquare = 4.7790e-01 D96 HB2 = 2.48(D), Expected = 2.74, Std = 0.2900, ChiSquare = 3.6996e-01 D96 HB3 = 2.77(D), Expected = 2.70, Std = 0.2900, ChiSquare = 8.0926e-01 D96 N = 124.45(D), Expected = 120.73, Std = 4.2000, ChiSquare = 3.7577e-01 I97 C = 175.27(D), Expected = 175.82, Std = 1.9500, ChiSquare = 7.7790e-01 I97 CA = 59.42(D), Expected = 61.59, Std = 2.7800, ChiSquare = 4.3505e-01 I97 H = 7.57(D), Expected = 8.26, Std = 0.7100, ChiSquare = 3.3113e-01 I97 HA = 4.72(D), Expected = 4.20, Std = 0.5600, ChiSquare = 3.5311e-01 I97 HB = 1.64(D), Expected = 1.80, Std = 0.3100, ChiSquare = 6.0576e-01 I97 HG2 = 0.73(D), Expected = 0.80, Std = 0.2900, ChiSquare = 8.0926e-01 I97 HG12 = 1.08(D), Expected = 1.30, Std = 0.4000, ChiSquare = 5.8232e-01 I97 HG13 = 1.08(D), Expected = 1.24, Std = 0.4000, ChiSquare = 6.8916e-01 I97 HD1 = 0.80(D), Expected = 0.70, Std = 0.3000, ChiSquare = 7.3888e-01 I97 N = 117.91(D), Expected = 121.60, Std = 4.7200, ChiSquare = 4.3434e-01 T98 C = 173.76(D), Expected = 174.60, Std = 1.8000, ChiSquare = 6.4074e-01 T98 CA = 60.92(D), Expected = 62.15, Std = 2.7200, ChiSquare = 6.5112e-01 T98 H = 8.55(D), Expected = 8.27, Std = 0.6200, ChiSquare = 6.5155e-01 T98 HA = 4.52(D), Expected = 4.48, Std = 0.5000, ChiSquare = 9.3624e-01 T98 HB = 4.00(D), Expected = 4.17, Std = 0.3700, ChiSquare = 6.4590e-01 T98 HG2 = 1.19(D), Expected = 1.16, Std = 0.2800, ChiSquare = 9.1468e-01 T98 N = 119.91(D), Expected = 115.70, Std = 5.0500, ChiSquare = 4.0447e-01 C99 C = 173.15(D), Expected = 174.78, Std = 1.9900, ChiSquare = 4.1273e-01 C99 CA = 54.62(D), Expected = 57.43, Std = 3.4100, ChiSquare = 4.0991e-01 C99 H = 8.85(D), Expected = 8.42, Std = 0.6600, ChiSquare = 5.1471e-01 C99 HA = 5.69(D), Expected = 4.73, Std = 0.5700, ChiSquare = 9.2141e-02 C99 HB2 = 2.94(D), Expected = 2.95, Std = 0.4300, ChiSquare = 9.8145e-01 C99 HB3 = 2.32(D), Expected = 2.98, Std = 0.4500, ChiSquare = 1.4247e-01 C99 N = 122.45(D), Expected = 119.95, Std = 4.7900, ChiSquare = 6.0173e-01 N100 C = 174.00(D), Expected = 175.16, Std = 1.7600, ChiSquare = 5.0984e-01 N100 CA = 51.92(D), Expected = 53.43, Std = 1.9400, ChiSquare = 4.3636e-01 N100 H = 8.82(D), Expected = 8.37, Std = 0.6500, ChiSquare = 4.8874e-01 N100 HA = 5.01(D), Expected = 4.70, Std = 0.3900, ChiSquare = 4.2669e-01 N100 HB2 = 2.69(D), Expected = 2.80, Std = 0.3400, ChiSquare = 7.4629e-01 N100 HB3 = 2.64(D), Expected = 2.78, Std = 0.3400, ChiSquare = 6.8051e-01 N100 HD21 = 7.58(D), Expected = 7.27, Std = 0.5200, ChiSquare = 5.5107e-01 N100 HD22 = 6.87(D), Expected = 7.20, Std = 0.5200, ChiSquare = 5.2568e-01 N100 N = 119.52(D), Expected = 119.13, Std = 4.4200, ChiSquare = 9.2969e-01 E101 C = 176.08(D), Expected = 176.93, Std = 2.1100, ChiSquare = 6.8706e-01 E101 CA = 57.35(D), Expected = 57.42, Std = 2.1900, ChiSquare = 9.7450e-01 E101 H = 8.96(D), Expected = 8.34, Std = 0.6100, ChiSquare = 3.0944e-01 E101 HA = 4.48(D), Expected = 4.26, Std = 0.4300, ChiSquare = 6.0891e-01 E101 HB2 = 2.29(D), Expected = 2.04, Std = 0.2200, ChiSquare = 2.5580e-01 E101 HB3 = 2.04(D), Expected = 2.04, Std = 0.2300, ChiSquare = 1.0000e+00 E101 HG2 = 2.44(D), Expected = 2.31, Std = 0.2100, ChiSquare = 5.3589e-01 E101 HG3 = 2.44(D), Expected = 2.31, Std = 0.2100, ChiSquare = 5.3589e-01 E101 N = 123.58(D), Expected = 120.68, Std = 3.6800, ChiSquare = 4.3067e-01 V102 C = 175.53(D), Expected = 175.69, Std = 2.0300, ChiSquare = 9.3718e-01 V102 CA = 61.46(D), Expected = 62.48, Std = 3.0400, ChiSquare = 7.3723e-01 V102 H = 8.50(D), Expected = 8.29, Std = 0.7100, ChiSquare = 7.6740e-01 V102 HA = 4.27(D), Expected = 4.16, Std = 0.5700, ChiSquare = 8.4697e-01 V102 HB = 2.02(D), Expected = 1.99, Std = 0.3300, ChiSquare = 9.2757e-01 V102 HG1 = 0.91(D), Expected = 0.84, Std = 0.2700, ChiSquare = 7.9544e-01 V102 HG2 = 0.86(D), Expected = 0.83, Std = 0.2900, ChiSquare = 9.1761e-01 V102 N = 123.65(D), Expected = 121.02, Std = 4.9600, ChiSquare = 5.9594e-01 Q103 C = 176.34(D), Expected = 176.39, Std = 1.9600, ChiSquare = 9.7965e-01 Q103 CA = 55.59(D), Expected = 56.62, Std = 2.1900, ChiSquare = 6.3813e-01 Q103 H = 8.54(D), Expected = 8.22, Std = 0.6200, ChiSquare = 6.0576e-01 Q103 HA = 4.46(D), Expected = 4.28, Std = 0.4400, ChiSquare = 6.8247e-01 Q103 HB2 = 2.04(D), Expected = 2.05, Std = 0.2800, ChiSquare = 9.7151e-01 Q103 HB3 = 2.04(D), Expected = 2.04, Std = 0.2900, ChiSquare = 1.0000e+00 Q103 HG2 = 2.15(D), Expected = 2.32, Std = 0.2900, ChiSquare = 5.5774e-01 Q103 HG3 = 2.43(D), Expected = 2.32, Std = 0.2900, ChiSquare = 7.0446e-01 Q103 HE21 = 7.58(D), Expected = 7.17, Std = 0.4600, ChiSquare = 3.7277e-01 Q103 HE22 = 6.84(D), Expected = 7.07, Std = 0.4900, ChiSquare = 6.3879e-01 Q103 N = 123.92(D), Expected = 119.92, Std = 4.0100, ChiSquare = 3.1852e-01 G104 C = 173.21(D), Expected = 174.04, Std = 1.9400, ChiSquare = 6.6877e-01 G104 CA = 45.30(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.8314e-01 G104 H = 8.50(D), Expected = 8.34, Std = 0.7400, ChiSquare = 8.2882e-01 G104 HA2 = 4.00(D), Expected = 3.95, Std = 0.4000, ChiSquare = 9.0052e-01 G104 HA3 = 3.90(D), Expected = 3.93, Std = 0.4000, ChiSquare = 9.4021e-01 G104 N = 110.47(D), Expected = 109.91, Std = 4.2900, ChiSquare = 8.9614e-01 V105 CA = 63.06(D), Expected = 62.48, Std = 3.0400, ChiSquare = 8.4869e-01 V105 H = 7.55(D), Expected = 8.29, Std = 0.7100, ChiSquare = 2.9729e-01 V105 HA = 4.08(D), Expected = 4.16, Std = 0.5700, ChiSquare = 8.8838e-01 V105 HG1 = 0.89(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.5308e-01 V105 HG2 = 0.84(D), Expected = 0.83, Std = 0.2900, ChiSquare = 9.7249e-01 V105 N = 122.12(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.2449e-01