Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 L 0.32 G 0.1 D 0.06 C 0.04 K 0.03 C Shift Assignments>> CA :: 43.492 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.308 HA2 :: 3.821 HA3 :: 3.821 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.954 Ave N Shift Values>> N :: 109.67(3.87) 1.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.029 Ave N Shift Values>> N :: 123.23(3.54) 1.M3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.E11 1.E11 H Shift Assignments>> H :: 7.705 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.859 Ave N Shift Values>> N :: 123.23(3.54) 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.L12 1.L12 H Shift Assignments>> H :: 8.072 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.577 Ave N Shift Values>> N :: 116.28(3.52) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.564 CB :: 63.389 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.229 HA :: 4.785 HB2 :: 3.853 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.746 Ave N Shift Values>> N :: 116.28(3.52) 1.P7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 174.244(D) CA :: 63.567(D) CB :: 32.234(D) CD :: 50.930 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.483(D) HB2 :: 2.299(D) HD2 :: 3.844 HD3 :: 3.744 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 119.849 Ave N Shift Values>> N :: 134.16(6.62) 1.V8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.42 P 0.36 C 0.17 K 0.01 HN Overlap>> 1.E39 1.E39 C Shift Assignments>> C :: 173.970(D) CA :: 62.822(D) CB :: 32.453(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.194(D) HA :: 4.091(D) HB :: 2.087(D) HG11 :: 0.978(D) HG12 :: 0.978(D) HG13 :: 0.978(D) HG21 :: 0.978(D) HG22 :: 0.978(D) HG23 :: 0.978(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.184(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 R 0.26 K 0.18 D 0.15 C 0.05 G 0.01 C Shift Assignments>> C :: 175.768(D) CA :: 55.832(D) CB :: 42.671 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.277(D) HA :: 4.358(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.630(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.864(D) CA :: 61.011(D) CB :: 62.502(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.427(D) HA :: 4.152(D) HB2 :: 3.994(D) HB3 :: 3.930(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.778(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 E 0.17 K 0.13 R 0.13 Q 0.12 I 0.1 V 0.03 M 0.03 HN Overlap>> 1.A4 1.A4 C Shift Assignments>> C :: 176.778 CA :: 59.377(D) CB :: 29.627 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.698(D) HA :: 4.127 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.835(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 E 0.14 S 0.13 K 0.12 R 0.11 Q 0.09 M 0.07 L 0.05 I 0.03 V 0.02 D 0.01 HN Overlap>> 1.S5 1.S5 C Shift Assignments>> C :: 176.661(D) CA :: 57.993 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.071(D) HA :: 4.091 HB2 :: 1.398 HB3 :: 1.398 HD11 :: 0.899 HD12 :: 0.899 HD13 :: 0.899 HD21 :: 0.899 HD22 :: 0.899 HD23 :: 0.899 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.560(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.29 V 0.16 K 0.14 R 0.12 M 0.1 E 0.09 Q 0.03 P 0.01 HN Overlap>> 1.E16 1.E16 C Shift Assignments>> C :: 176.521(D) CA :: 59.500(D) CB :: 31.949 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.208(D) HA :: 4.164(D) HB2 :: 2.162(D) HB3 :: 1.929(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.600(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 C 0.23 L 0.22 I 0.14 D 0.14 R 0.01 C Shift Assignments>> C :: 176.869(D) CA :: 58.164 CB :: 40.872 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.673(D) HA :: 4.128(D) HB2 :: 1.682(D) HB3 :: 1.682(D) HD11 :: 0.916(D) HD12 :: 0.916(D) HD13 :: 0.916(D) HD21 :: 0.916(D) HD22 :: 0.916(D) HD23 :: 0.916(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.838(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 R 0.16 E 0.14 K 0.13 M 0.11 V 0.09 Q 0.07 I 0.01 C Shift Assignments>> C :: 175.655(D) CA :: 58.849(D) CB :: 31.403 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.962(D) HA :: 4.155(D) HB2 :: 2.034(D) HB3 :: 2.034(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.068(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.31 I 0.19 E 0.11 V 0.09 R 0.09 K 0.07 Q 0.06 P 0.02 M 0.01 HN Overlap>> 1.K13 1.K13 C Shift Assignments>> C :: 175.906(D) CA :: 60.711 CB :: 29.808 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.254(D) HA :: 3.820(D) HB2 :: 2.010(D) HB3 :: 2.010(D) HG2 :: 2.279(D) HG3 :: 2.153 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.648(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 175.952(D) CA :: 64.912(D) CB :: 38.372(D) CG1 :: 29.342(D) CG2 :: 17.322(D) CD1 :: 13.410(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.864(D) HA :: 3.825(D) HB :: 2.014(D) HG12 :: 1.252(D) HG13 :: 1.252(D) HG21 :: 0.978(D) HG22 :: 0.978(D) HG23 :: 0.978(D) HD11 :: 0.893(D) HD12 :: 0.893(D) HD13 :: 0.893(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.544(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.75 Q 0.21 E 0.02 C Shift Assignments>> C :: 177.391(D) CA :: 59.291 CB :: 28.311 CD :: 177.618(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.132(D) HA :: 4.137(D) HB2 :: 2.184(D) HB3 :: 2.184(D) HG2 :: 2.639(D) HG3 :: 2.354(D) HE21 :: 7.499(D) HE22 :: 6.878(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.046(D) NE2 :: 111.866(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.26 C 0.21 L 0.21 I 0.13 D 0.13 R 0.02 C Shift Assignments>> C :: 176.404(D) CA :: 58.225 CB :: 40.974 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.588(D) HA :: 4.057(D) HB2 :: 1.349(D) HB3 :: 1.349(D) HD11 :: 0.872(D) HD12 :: 0.872(D) HD13 :: 0.872(D) HD21 :: 0.915(D) HD22 :: 0.915(D) HD23 :: 0.915(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.805(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.74 Q 0.23 E 0.01 C Shift Assignments>> C :: 176.843(D) CA :: 59.452 CB :: 28.449 CG :: 34.172 CD :: 177.512(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.313(D) HA :: 4.170(D) HB2 :: 2.192(D) HB3 :: 2.192(D) HG2 :: 2.630(D) HG3 :: 2.420(D) HE21 :: 7.622(D) HE22 :: 6.834(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.293(D) NE2 :: 111.879(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 I 0.15 E 0.15 K 0.15 Q 0.11 R 0.1 V 0.02 M 0.02 C Shift Assignments>> C :: 176.840(D) CA :: 59.568 CB :: 29.185 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.172(D) HA :: 4.086(D) HB2 :: 2.241(D) HB3 :: 2.121(D) HG2 :: 2.408 HG3 :: 2.408 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.908(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 R 0.15 E 0.14 V 0.12 K 0.1 M 0.07 Q 0.06 I 0.02 P 0.01 C Shift Assignments>> C :: 176.379(D) CA :: 59.491 CB :: 31.163 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.246(D) HA :: 4.198(D) HB2 :: 2.031(D) HB3 :: 2.031(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.489(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.29 I 0.2 E 0.12 R 0.09 K 0.09 Q 0.07 V 0.07 M 0.01 P 0.01 C Shift Assignments>> C :: 175.475(D) CA :: 60.475 CB :: 29.611 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.571(D) HA :: 3.877(D) HB2 :: 2.262(D) HB3 :: 2.262(D) HG2 :: 2.302 HG3 :: 2.302 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.785(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 I 0.19 S 0.18 V 0.13 E 0.06 K 0.05 R 0.05 Q 0.03 M 0.02 L 0.01 P 0.01 C Shift Assignments>> C :: 176.869(D) CA :: 60.023 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.097(D) HA :: 4.064(D) HB2 :: 1.988(D) HB3 :: 1.988(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.432(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.52 A 0.4 I 0.03 C 0.02 C Shift Assignments>> C :: 178.342(D) CA :: 55.135(D) CB :: 18.179(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.078(D) HA :: 4.231(D) HB1 :: 1.567(D) HB2 :: 1.567(D) HB3 :: 1.567(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.376(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.37 L 0.21 R 0.14 C 0.12 D 0.08 I 0.04 C Shift Assignments>> C :: 175.980(D) CA :: 58.144(D) CB :: 41.958 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.181(D) HA :: 4.070(D) HB2 :: 1.583(D) HB3 :: 1.583(D) HD11 :: 0.939(D) HD12 :: 0.939(D) HD13 :: 0.939(D) HD21 :: 0.939(D) HD22 :: 0.939(D) HD23 :: 0.939(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.453(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.29 V 0.16 K 0.15 R 0.12 M 0.1 E 0.08 Q 0.04 P 0.01 C Shift Assignments>> C :: 176.146(D) CA :: 59.370 CB :: 32.147 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.335(D) HA :: 4.231(D) HB2 :: 1.942(D) HB3 :: 1.942(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.539(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.58 A 0.34 I 0.04 C 0.02 C Shift Assignments>> C :: 178.285(D) CA :: 55.220(D) CB :: 17.907(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.675(D) HA :: 4.261(D) HB1 :: 1.545(D) HB2 :: 1.545(D) HB3 :: 1.545(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.001(D) Ave N Shift Values>> N :: 123.23(3.54) 1.R29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 V 0.18 K 0.14 R 0.12 M 0.09 E 0.09 Q 0.03 P 0.01 I 0.01 C Shift Assignments>> C :: 176.882(D) CA :: 59.624 CB :: 31.952 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.825(D) HA :: 4.077(D) HB2 :: 2.012(D) HB3 :: 2.012(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.393(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 I 0.17 E 0.14 K 0.1 R 0.1 Q 0.08 V 0.06 M 0.02 C Shift Assignments>> C :: 176.018(D) CA :: 60.204(D) CB :: 29.607(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.843(D) HA :: 3.883(D) HB2 :: 2.163(D) HB3 :: 2.163(D) HG2 :: 2.417(D) HG3 :: 2.417(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.318(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 E 0.15 I 0.14 K 0.12 R 0.11 Q 0.1 V 0.04 M 0.02 C Shift Assignments>> C :: 177.104(D) CA :: 59.855 CB :: 29.587 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.381(D) HA :: 4.089(D) HB2 :: 2.073(D) HB3 :: 2.073(D) HG2 :: 2.563(D) HG3 :: 2.563(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.492(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 S 0.2 I 0.14 V 0.09 E 0.08 K 0.06 R 0.06 Q 0.04 M 0.03 L 0.01 HN Overlap>> 1.Q38 1.Q38 C Shift Assignments>> C :: 176.276(D) CA :: 59.628 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.845(D) HA :: 4.172(D) HB2 :: 1.992(D) HB3 :: 1.992(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.276(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 S 0.15 E 0.13 K 0.11 R 0.1 Q 0.08 M 0.06 L 0.04 I 0.04 V 0.02 D 0.01 C Shift Assignments>> C :: 175.755(D) CA :: 58.195 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.013(D) HA :: 4.061(D) HB2 :: 1.871(D) HB3 :: 1.871(D) HD11 :: 0.957(D) HD12 :: 0.957(D) HD13 :: 0.957(D) HD21 :: 0.957(D) HD22 :: 0.957(D) HD23 :: 0.957(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.101(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 E 0.15 I 0.15 K 0.13 R 0.11 Q 0.1 V 0.03 M 0.02 C Shift Assignments>> C :: 176.941(D) CA :: 59.732 CB :: 29.391 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.280(D) HA :: 4.117(D) HB2 :: 2.222(D) HB3 :: 2.122(D) HG2 :: 2.449(D) HG3 :: 2.449(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.938(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.77 Q 0.2 E 0.02 C Shift Assignments>> C :: 176.792(D) CA :: 59.149 CB :: 28.164 CD :: 177.475(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.647(D) HA :: 4.096(D) HB2 :: 2.230(D) HB3 :: 2.230(D) HG2 :: 2.576(D) HG3 :: 2.437(D) HE21 :: 7.661(D) HE22 :: 6.800(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.885(D) NE2 :: 112.633(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 I 0.24 E 0.14 Q 0.14 R 0.12 L 0.02 M 0.01 V 0.01 C Shift Assignments>> C :: 177.035(D) CA :: 59.350(D) CB :: 28.353(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.204(D) HA :: 4.113(D) HB2 :: 2.010(D) HB3 :: 2.010(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.684(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.4 E 0.29 I 0.24 K 0.03 Q 0.01 M 0.01 C Shift Assignments>> C :: 177.473(D) CA :: 60.248(D) CB :: 29.665(D) CG :: 36.586 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.065(D) HA :: 3.896(D) HB2 :: 2.379(D) HB3 :: 2.021(D) HG2 :: 2.532(D) HG3 :: 2.243(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.344(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.7 Q 0.28 E 0.01 HN Overlap>> 1.R32 1.R32 C Shift Assignments>> C :: 175.945(D) CA :: 58.920(D) CB :: 28.093(D) CG :: 33.889(D) CD :: 177.617(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.939(D) HA :: 4.152(D) HB2 :: 2.242(D) HB3 :: 2.242(D) HG2 :: 2.605(D) HG3 :: 2.511(D) HE21 :: 7.545(D) HE22 :: 6.822(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.323(D) NE2 :: 112.514(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 I 0.2 K 0.15 E 0.12 Q 0.12 R 0.09 L 0.02 M 0.01 HN Overlap>> 1.V8 1.V8 C Shift Assignments>> C :: 177.169(D) CA :: 59.418 CB :: 28.425 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.128(D) HA :: 4.049(D) HB2 :: 2.177(D) HB3 :: 2.177(D) HG2 :: 2.537(D) HG3 :: 2.537(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.244(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.35 L 0.22 R 0.18 C 0.11 D 0.08 I 0.03 C Shift Assignments>> C :: 175.617(D) CA :: 57.924 CB :: 42.150 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.285(D) HA :: 4.043(D) HB2 :: 1.648(D) HB3 :: 1.648(D) HD11 :: 0.908(D) HD12 :: 0.908(D) HD13 :: 0.908(D) HD21 :: 0.908(D) HD22 :: 0.908(D) HD23 :: 0.908(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.893(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.55 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 178.181(D) CA :: 55.138(D) CB :: 18.034(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.772(D) HA :: 4.250(D) HB1 :: 1.554(D) HB2 :: 1.554(D) HB3 :: 1.554(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.891(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 175.777(D) CA :: 65.990(D) CB :: 32.067(D) CG1 :: 22.417(D) CG2 :: 21.377 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.541(D) HA :: 3.733(D) HB :: 2.249(D) HG11 :: 1.105(D) HG12 :: 1.105(D) HG13 :: 1.105(D) HG21 :: 0.973(D) HG22 :: 0.973(D) HG23 :: 0.973(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.110(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 R 0.16 E 0.16 K 0.1 V 0.09 M 0.08 Q 0.08 I 0.02 C Shift Assignments>> C :: 176.495(D) CA :: 59.178 CB :: 31.087 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.757(D) HA :: 4.047(D) HB2 :: 1.922(D) HB3 :: 1.922(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.685(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 E 0.19 R 0.16 Q 0.12 K 0.1 I 0.06 M 0.04 V 0.04 C Shift Assignments>> C :: 174.980(D) CA :: 58.975 CB :: 30.022 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.539(D) HA :: 3.997(D) HB2 :: 2.116(D) HB3 :: 2.088(D) HG2 :: 2.367(D) HG3 :: 2.260(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.840(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.21 C 0.2 R 0.2 Q 0.15 M 0.08 K 0.08 V 0.02 I 0.02 C Shift Assignments>> C :: 174.538(D) CA :: 57.629 CB :: 30.393 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.501(D) HA :: 4.261(D) HB2 :: 1.991(D) HB3 :: 1.991(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.661(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 K 0.23 D 0.19 R 0.17 C 0.06 C Shift Assignments>> C :: 174.397(D) CA :: 55.645 CB :: 42.277 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.735(D) HA :: 4.310(D) HB2 :: 1.775(D) HB3 :: 1.636(D) HD11 :: 0.887(D) HD12 :: 0.887(D) HD13 :: 0.887(D) HD21 :: 0.887(D) HD22 :: 0.887(D) HD23 :: 0.887(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.808(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.08 C 0.02 L 0.01 C Shift Assignments>> C :: 174.768(D) CA :: 52.709(D) CB :: 19.543(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.797(D) HA :: 4.397(D) HB1 :: 1.436(D) HB2 :: 1.436(D) HB3 :: 1.436(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.902(D) Ave N Shift Values>> N :: 123.23(3.54) 1.C48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.4 L 0.31 K 0.15 C 0.09 R 0.01 I 0.01 C Shift Assignments>> C :: 171.126(D) CA :: 55.167 CB :: 40.951(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.304(D) HA :: 4.747(D) HB2 :: 3.343(D) HB3 :: 2.978(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.155(D) Ave N Shift Values>> N :: 120.17(4.64) 1.D49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 K 0.24 R 0.22 D 0.14 C 0.06 C Shift Assignments>> CA :: 56.312(D) CB :: 42.435(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.095(D) HA :: 4.424(D) HB2 :: 2.605(D) HB3 :: 2.664(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.625(D) Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 6 #Clerical: 43 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 45 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 49 #Suspicious: 0 C Shift Results: #Consistent: 56 #Duplicate: 84 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 26 #Duplicate: 248 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 6 #Duplicate: 46 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P7 C = 174.244(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.6994e-02 1.P7 CA = 63.567(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.7610e-01 1.P7 CB = 32.234(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.4486e-01 1.P7 HA = 4.483(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.0142e-01 1.P7 HB2 = 2.299(D), Expected = 2.08, Std = 0.3500, ChiSquare = 5.3150e-01 1.V8 C = 173.970(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.8516e-01 1.V8 CA = 62.822(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.0759e-01 1.V8 CB = 32.453(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.7702e-01 1.V8 H = 8.194(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.8607e-01 1.V8 HA = 4.091(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.6447e-01 1.V8 HB = 2.087(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.3810e-01 1.V8 HG11 = 0.978(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.6920e-01 1.V8 HG12 = 0.978(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.6920e-01 1.V8 HG13 = 0.978(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.6920e-01 1.V8 HG21 = 0.978(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.2496e-01 1.V8 HG22 = 0.978(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.2496e-01 1.V8 HG23 = 0.978(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.2496e-01 1.V8 N = 121.184(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.9227e-01 1.L9 C = 175.768(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.3712e-01 1.L9 CA = 55.832(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.2072e-01 1.L9 H = 8.277(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.4236e-01 1.L9 HA = 4.358(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.3556e-01 1.L9 N = 126.630(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.2130e-01 1.S10 C = 173.864(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.6027e-01 1.S10 CA = 61.011(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.6840e-01 1.S10 CB = 62.502(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.8047e-01 1.S10 H = 8.427(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.0324e-01 1.S10 HA = 4.152(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.1222e-01 1.S10 HB2 = 3.994(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.4839e-01 1.S10 HB3 = 3.930(D), Expected = 3.85, Std = 0.2700, ChiSquare = 7.6700e-01 1.S10 N = 114.778(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.6959e-01 1.E11 CA = 59.377(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.2501e-01 1.E11 H = 7.698(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.8409e-01 1.E11 N = 122.835(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.3386e-01 1.L12 C = 176.661(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.6803e-01 1.L12 H = 8.071(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.0675e-01 1.L12 N = 121.560(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.3868e-01 1.K13 C = 176.521(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.5255e-01 1.K13 CA = 59.500(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.4642e-01 1.K13 H = 8.208(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.7607e-01 1.K13 HA = 4.164(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.0963e-01 1.K13 HB2 = 2.162(D), Expected = 1.78, Std = 0.2500, ChiSquare = 1.2651e-01 1.K13 HB3 = 1.929(D), Expected = 1.74, Std = 0.2700, ChiSquare = 4.8393e-01 1.K13 N = 120.600(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.0499e-01 1.L14 C = 176.869(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.5127e-01 1.L14 H = 7.673(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.9149e-01 1.L14 HA = 4.128(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.8290e-01 1.L14 HB2 = 1.682(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.3229e-01 1.L14 HB3 = 1.682(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.5271e-01 1.L14 HD11 = 0.916(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.5328e-01 1.L14 HD12 = 0.916(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.5328e-01 1.L14 HD13 = 0.916(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.5328e-01 1.L14 HD21 = 0.916(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.2128e-01 1.L14 HD22 = 0.916(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.2128e-01 1.L14 HD23 = 0.916(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.2128e-01 1.L14 N = 119.838(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.0414e-01 1.K15 C = 175.655(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.2237e-01 1.K15 CA = 58.849(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.8804e-01 1.K15 H = 7.962(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.0395e-01 1.K15 HA = 4.155(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.9381e-01 1.K15 HB2 = 2.034(D), Expected = 1.78, Std = 0.2500, ChiSquare = 3.0963e-01 1.K15 HB3 = 2.034(D), Expected = 1.74, Std = 0.2700, ChiSquare = 2.7620e-01 1.K15 N = 121.068(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.9619e-01 1.E16 C = 175.906(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.2105e-01 1.E16 H = 8.254(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.9751e-01 1.E16 HA = 3.820(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.9428e-01 1.E16 HB2 = 2.010(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.6202e-01 1.E16 HB3 = 2.010(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.3071e-01 1.E16 HG2 = 2.279(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.6582e-01 1.E16 N = 120.648(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.9496e-01 1.I17 C = 175.952(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.5763e-01 1.I17 CA = 64.912(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.1792e-01 1.I17 CB = 38.372(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.9837e-01 1.I17 CG1 = 29.342(D), Expected = 27.71, Std = 1.6800, ChiSquare = 3.3134e-01 1.I17 CG2 = 17.322(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.7844e-01 1.I17 CD1 = 13.410(D), Expected = 13.43, Std = 1.6700, ChiSquare = 9.9044e-01 1.I17 H = 7.864(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.4069e-01 1.I17 HA = 3.825(D), Expected = 4.18, Std = 0.5600, ChiSquare = 5.2613e-01 1.I17 HB = 2.014(D), Expected = 1.78, Std = 0.2900, ChiSquare = 4.1973e-01 1.I17 HG12 = 1.252(D), Expected = 1.28, Std = 0.4000, ChiSquare = 9.4419e-01 1.I17 HG13 = 1.252(D), Expected = 1.19, Std = 0.4100, ChiSquare = 8.7980e-01 1.I17 HG21 = 0.978(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.4108e-01 1.I17 HG22 = 0.978(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.4108e-01 1.I17 HG23 = 0.978(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.4108e-01 1.I17 HD11 = 0.893(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.6265e-01 1.I17 HD12 = 0.893(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.6265e-01 1.I17 HD13 = 0.893(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.6265e-01 1.I17 N = 120.544(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.3053e-01 1.Q18 C = 177.391(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.7933e-01 1.Q18 CD = 177.618(D), Expected = 179.69, Std = 1.2900, ChiSquare = 1.0823e-01 1.Q18 H = 8.132(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.8143e-01 1.Q18 HA = 4.137(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.6244e-01 1.Q18 HB2 = 2.184(D), Expected = 2.05, Std = 0.2500, ChiSquare = 5.9196e-01 1.Q18 HB3 = 2.184(D), Expected = 2.02, Std = 0.2800, ChiSquare = 5.5807e-01 1.Q18 HG2 = 2.639(D), Expected = 2.32, Std = 0.2700, ChiSquare = 2.3741e-01 1.Q18 HG3 = 2.354(D), Expected = 2.29, Std = 0.2900, ChiSquare = 8.2533e-01 1.Q18 HE21 = 7.499(D), Expected = 7.24, Std = 0.4500, ChiSquare = 5.6492e-01 1.Q18 HE22 = 6.878(D), Expected = 7.02, Std = 0.4400, ChiSquare = 7.4690e-01 1.Q18 N = 121.046(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.4813e-01 1.Q18 NE2 = 111.866(D), Expected = 111.87, Std = 1.7200, ChiSquare = 9.9814e-01 1.L19 C = 176.404(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.6726e-01 1.L19 H = 8.588(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.8179e-01 1.L19 HA = 4.057(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.7577e-01 1.L19 HB2 = 1.349(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.4270e-01 1.L19 HB3 = 1.349(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.3479e-01 1.L19 HD11 = 0.872(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6304e-01 1.L19 HD12 = 0.872(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6304e-01 1.L19 HD13 = 0.872(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6304e-01 1.L19 HD21 = 0.915(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.2352e-01 1.L19 HD22 = 0.915(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.2352e-01 1.L19 HD23 = 0.915(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.2352e-01 1.L19 N = 120.805(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8677e-01 1.Q20 C = 176.843(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.8460e-01 1.Q20 CD = 177.512(D), Expected = 179.69, Std = 1.2900, ChiSquare = 9.1340e-02 1.Q20 H = 8.313(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.7475e-01 1.Q20 HA = 4.170(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.2021e-01 1.Q20 HB2 = 2.192(D), Expected = 2.05, Std = 0.2500, ChiSquare = 5.7003e-01 1.Q20 HB3 = 2.192(D), Expected = 2.02, Std = 0.2800, ChiSquare = 5.3903e-01 1.Q20 HG2 = 2.630(D), Expected = 2.32, Std = 0.2700, ChiSquare = 2.5091e-01 1.Q20 HG3 = 2.420(D), Expected = 2.29, Std = 0.2900, ChiSquare = 6.5395e-01 1.Q20 HE21 = 7.622(D), Expected = 7.24, Std = 0.4500, ChiSquare = 3.9594e-01 1.Q20 HE22 = 6.834(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.7249e-01 1.Q20 N = 121.293(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.9674e-01 1.Q20 NE2 = 111.879(D), Expected = 111.87, Std = 1.7200, ChiSquare = 9.9583e-01 1.E21 C = 176.840(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.8773e-01 1.E21 H = 8.172(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.8886e-01 1.E21 HA = 4.086(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.8916e-01 1.E21 HB2 = 2.241(D), Expected = 2.02, Std = 0.2100, ChiSquare = 2.9262e-01 1.E21 HB3 = 2.121(D), Expected = 1.99, Std = 0.2300, ChiSquare = 5.6897e-01 1.E21 N = 120.908(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.4547e-01 1.R22 C = 176.379(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.8782e-01 1.R22 H = 8.246(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.9215e-01 1.R22 HA = 4.198(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.2452e-01 1.R22 HB2 = 2.031(D), Expected = 1.79, Std = 0.2700, ChiSquare = 3.7208e-01 1.R22 HB3 = 2.031(D), Expected = 1.76, Std = 0.2800, ChiSquare = 3.3312e-01 1.R22 N = 122.489(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.4626e-01 1.E23 C = 175.475(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.7437e-01 1.E23 H = 8.571(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.8293e-01 1.E23 HA = 3.877(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.6295e-01 1.E23 HB2 = 2.262(D), Expected = 2.02, Std = 0.2100, ChiSquare = 2.4916e-01 1.E23 HB3 = 2.262(D), Expected = 1.99, Std = 0.2300, ChiSquare = 2.3696e-01 1.E23 N = 121.785(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.4866e-01 1.R24 C = 176.869(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.2112e-01 1.R24 H = 8.097(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.1465e-01 1.R24 HA = 4.064(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.0792e-01 1.R24 HB2 = 1.988(D), Expected = 1.79, Std = 0.2700, ChiSquare = 4.6336e-01 1.R24 HB3 = 1.988(D), Expected = 1.76, Std = 0.2800, ChiSquare = 4.1548e-01 1.R24 N = 120.432(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.2034e-01 1.A25 C = 178.342(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.7746e-01 1.A25 CA = 55.135(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.1366e-01 1.A25 CB = 18.179(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.4976e-01 1.A25 H = 8.078(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.3887e-01 1.A25 HA = 4.231(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.4745e-01 1.A25 HB1 = 1.567(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.0393e-01 1.A25 HB2 = 1.567(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.0393e-01 1.A25 HB3 = 1.567(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.0393e-01 1.A25 N = 123.376(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.6710e-01 1.L26 C = 175.980(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.0998e-01 1.L26 CA = 58.144(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3603e-01 1.L26 H = 8.181(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.3991e-01 1.L26 HA = 4.070(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.9478e-01 1.L26 HB2 = 1.583(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.3671e-01 1.L26 HB3 = 1.583(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.6108e-01 1.L26 HD11 = 0.939(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.9968e-01 1.L26 HD12 = 0.939(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.9968e-01 1.L26 HD13 = 0.939(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.9968e-01 1.L26 HD21 = 0.939(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.7110e-01 1.L26 HD22 = 0.939(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.7110e-01 1.L26 HD23 = 0.939(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.7110e-01 1.L26 N = 121.453(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.1688e-01 1.K27 C = 176.146(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.0491e-01 1.K27 H = 8.335(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.0904e-01 1.K27 HA = 4.231(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.2937e-01 1.K27 HB2 = 1.942(D), Expected = 1.78, Std = 0.2500, ChiSquare = 5.1699e-01 1.K27 HB3 = 1.942(D), Expected = 1.74, Std = 0.2700, ChiSquare = 4.5437e-01 1.K27 N = 121.539(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.9680e-01 1.A28 C = 178.285(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.9805e-01 1.A28 CA = 55.220(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.9349e-01 1.A28 CB = 17.907(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.4669e-01 1.A28 H = 7.675(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.8157e-01 1.A28 HA = 4.261(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.9819e-01 1.A28 HB1 = 1.545(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.5325e-01 1.A28 HB2 = 1.545(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.5325e-01 1.A28 HB3 = 1.545(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.5325e-01 1.A28 N = 121.001(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.2892e-01 1.R29 C = 176.882(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.1614e-01 1.R29 H = 7.825(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.9630e-01 1.R29 HA = 4.077(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.2783e-01 1.R29 HB2 = 2.012(D), Expected = 1.79, Std = 0.2700, ChiSquare = 4.1095e-01 1.R29 HB3 = 2.012(D), Expected = 1.76, Std = 0.2800, ChiSquare = 3.6812e-01 1.R29 N = 120.393(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.1194e-01 1.E30 C = 176.018(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.6217e-01 1.E30 CA = 60.204(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.6762e-01 1.E30 CB = 29.607(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.1475e-01 1.E30 H = 8.843(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.8458e-01 1.E30 HA = 3.883(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.7072e-01 1.E30 HB2 = 2.163(D), Expected = 2.02, Std = 0.2100, ChiSquare = 4.9590e-01 1.E30 HB3 = 2.163(D), Expected = 1.99, Std = 0.2300, ChiSquare = 4.5195e-01 1.E30 HG2 = 2.417(D), Expected = 2.27, Std = 0.2100, ChiSquare = 4.8393e-01 1.E30 HG3 = 2.417(D), Expected = 2.25, Std = 0.2200, ChiSquare = 4.4780e-01 1.E30 N = 123.318(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.4671e-01 1.E31 C = 177.104(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.0448e-01 1.E31 H = 8.381(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.3112e-01 1.E31 HA = 4.089(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.9455e-01 1.E31 HB2 = 2.073(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.0075e-01 1.E31 HB3 = 2.073(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.1820e-01 1.E31 HG2 = 2.563(D), Expected = 2.27, Std = 0.2100, ChiSquare = 1.6294e-01 1.E31 HG3 = 2.563(D), Expected = 2.25, Std = 0.2200, ChiSquare = 1.5481e-01 1.E31 N = 120.492(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.5921e-01 1.R32 C = 176.276(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.4737e-01 1.R32 H = 7.845(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.1728e-01 1.R32 HA = 4.172(D), Expected = 4.30, Std = 0.4600, ChiSquare = 7.8081e-01 1.R32 HB2 = 1.992(D), Expected = 1.79, Std = 0.2700, ChiSquare = 4.5437e-01 1.R32 HB3 = 1.992(D), Expected = 1.76, Std = 0.2800, ChiSquare = 4.0735e-01 1.R32 N = 120.276(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.8677e-01 1.L33 C = 175.755(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.3280e-01 1.L33 H = 8.013(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.3850e-01 1.L33 HA = 4.061(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.8159e-01 1.L33 HB2 = 1.871(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.4270e-01 1.L33 HB3 = 1.871(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.2956e-01 1.L33 HD11 = 0.957(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.5973e-01 1.L33 HD12 = 0.957(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.5973e-01 1.L33 HD13 = 0.957(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.5973e-01 1.L33 HD21 = 0.957(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.3377e-01 1.L33 HD22 = 0.957(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.3377e-01 1.L33 HD23 = 0.957(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.3377e-01 1.L33 N = 122.101(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.5073e-01 1.E34 C = 176.941(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.7096e-01 1.E34 H = 8.280(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.3246e-01 1.E34 HA = 4.117(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.4564e-01 1.E34 HB2 = 2.222(D), Expected = 2.02, Std = 0.2100, ChiSquare = 3.3610e-01 1.E34 HB3 = 2.122(D), Expected = 1.99, Std = 0.2300, ChiSquare = 5.6603e-01 1.E34 HG2 = 2.449(D), Expected = 2.27, Std = 0.2100, ChiSquare = 3.9400e-01 1.E34 HG3 = 2.449(D), Expected = 2.25, Std = 0.2200, ChiSquare = 3.6571e-01 1.E34 N = 119.938(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.3340e-01 1.Q35 C = 176.792(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.0477e-01 1.Q35 CD = 177.475(D), Expected = 179.69, Std = 1.2900, ChiSquare = 8.5969e-02 1.Q35 H = 7.647(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.3146e-01 1.Q35 HA = 4.096(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.9251e-01 1.Q35 HB2 = 2.230(D), Expected = 2.05, Std = 0.2500, ChiSquare = 4.7153e-01 1.Q35 HB3 = 2.230(D), Expected = 2.02, Std = 0.2800, ChiSquare = 4.5325e-01 1.Q35 HG2 = 2.576(D), Expected = 2.32, Std = 0.2700, ChiSquare = 3.4305e-01 1.Q35 HG3 = 2.437(D), Expected = 2.29, Std = 0.2900, ChiSquare = 6.1223e-01 1.Q35 HE21 = 7.661(D), Expected = 7.24, Std = 0.4500, ChiSquare = 3.4950e-01 1.Q35 HE22 = 6.800(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.1707e-01 1.Q35 N = 118.885(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.8012e-01 1.Q35 NE2 = 112.633(D), Expected = 111.87, Std = 1.7200, ChiSquare = 6.5733e-01 1.K36 C = 177.035(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.4344e-01 1.K36 CA = 59.350(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.7531e-01 1.K36 CB = 28.353(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.2678e-02 1.K36 H = 8.204(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.8138e-01 1.K36 HA = 4.113(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.2123e-01 1.K36 HB2 = 2.010(D), Expected = 1.78, Std = 0.2500, ChiSquare = 3.5757e-01 1.K36 HB3 = 2.010(D), Expected = 1.74, Std = 0.2700, ChiSquare = 3.1731e-01 1.K36 N = 121.684(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.6645e-01 1.E37 C = 177.473(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.5715e-01 1.E37 CA = 60.248(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.6123e-01 1.E37 CB = 29.665(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.4103e-01 1.E37 H = 9.065(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.1285e-01 1.E37 HA = 3.896(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.8791e-01 1.E37 HB2 = 2.379(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.7354e-02 1.E37 HB3 = 2.021(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.9278e-01 1.E37 HG2 = 2.532(D), Expected = 2.27, Std = 0.2100, ChiSquare = 2.1217e-01 1.E37 HG3 = 2.243(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.7462e-01 1.E37 N = 121.344(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.4643e-01 1.Q38 C = 175.945(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.5152e-01 1.Q38 CA = 58.920(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.7215e-01 1.Q38 CB = 28.093(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.4668e-01 1.Q38 CG = 33.889(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.0748e-01 1.Q38 CD = 177.617(D), Expected = 179.69, Std = 1.2900, ChiSquare = 1.0806e-01 1.Q38 H = 7.939(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.3388e-01 1.Q38 HA = 4.152(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.8856e-01 1.Q38 HB2 = 2.242(D), Expected = 2.05, Std = 0.2500, ChiSquare = 4.4249e-01 1.Q38 HB3 = 2.242(D), Expected = 2.02, Std = 0.2800, ChiSquare = 4.2786e-01 1.Q38 HG2 = 2.605(D), Expected = 2.32, Std = 0.2700, ChiSquare = 2.9117e-01 1.Q38 HG3 = 2.511(D), Expected = 2.29, Std = 0.2900, ChiSquare = 4.4602e-01 1.Q38 HE21 = 7.545(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.9791e-01 1.Q38 HE22 = 6.822(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.5271e-01 1.Q38 N = 120.323(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.0426e-01 1.Q38 NE2 = 112.514(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.0809e-01 1.E39 C = 177.169(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.7814e-01 1.E39 H = 8.128(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.3207e-01 1.E39 HA = 4.049(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.2396e-01 1.E39 HB2 = 2.177(D), Expected = 2.02, Std = 0.2100, ChiSquare = 4.5469e-01 1.E39 HB3 = 2.177(D), Expected = 1.99, Std = 0.2300, ChiSquare = 4.1619e-01 1.E39 HG2 = 2.537(D), Expected = 2.27, Std = 0.2100, ChiSquare = 2.0358e-01 1.E39 HG3 = 2.537(D), Expected = 2.25, Std = 0.2200, ChiSquare = 1.9205e-01 1.E39 N = 121.244(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.6899e-01 1.L40 C = 175.617(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.8804e-01 1.L40 H = 8.285(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.3257e-01 1.L40 HA = 4.043(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.5562e-01 1.L40 HB2 = 1.648(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.1101e-01 1.L40 HB3 = 1.648(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.2217e-01 1.L40 HD11 = 0.908(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.7256e-01 1.L40 HD12 = 0.908(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.7256e-01 1.L40 HD13 = 0.908(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.7256e-01 1.L40 HD21 = 0.908(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.3935e-01 1.L40 HD22 = 0.908(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.3935e-01 1.L40 HD23 = 0.908(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.3935e-01 1.L40 N = 120.893(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.0417e-01 1.A41 C = 178.181(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.3598e-01 1.A41 CA = 55.138(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.1293e-01 1.A41 CB = 18.034(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.9380e-01 1.A41 H = 7.772(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.7564e-01 1.A41 HA = 4.250(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.8187e-01 1.A41 HB1 = 1.554(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.3268e-01 1.A41 HB2 = 1.554(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.3268e-01 1.A41 HB3 = 1.554(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.3268e-01 1.A41 N = 121.891(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.0525e-01 1.V42 C = 175.777(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.3414e-01 1.V42 CA = 65.990(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.2104e-01 1.V42 CB = 32.067(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.1109e-01 1.V42 CG1 = 22.417(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.9548e-01 1.V42 H = 7.541(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.6361e-01 1.V42 HA = 3.733(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.3074e-01 1.V42 HB = 2.249(D), Expected = 1.98, Std = 0.3200, ChiSquare = 4.0056e-01 1.V42 HG11 = 1.105(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.9020e-01 1.V42 HG12 = 1.105(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.9020e-01 1.V42 HG13 = 1.105(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.9020e-01 1.V42 HG21 = 0.973(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.3667e-01 1.V42 HG22 = 0.973(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.3667e-01 1.V42 HG23 = 0.973(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.3667e-01 1.V42 N = 118.110(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.0452e-01 1.R43 C = 176.495(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.6660e-01 1.R43 H = 7.757(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.2848e-01 1.R43 HA = 4.047(D), Expected = 4.30, Std = 0.4600, ChiSquare = 5.8232e-01 1.R43 HB2 = 1.922(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.2492e-01 1.R43 HB3 = 1.922(D), Expected = 1.76, Std = 0.2800, ChiSquare = 5.6288e-01 1.R43 N = 120.685(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.7507e-01 1.E44 C = 174.980(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.3243e-01 1.E44 H = 8.539(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.2316e-01 1.E44 HA = 3.997(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.3719e-01 1.E44 HB2 = 2.116(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.4757e-01 1.E44 HB3 = 2.088(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.7004e-01 1.E44 HG2 = 2.367(D), Expected = 2.27, Std = 0.2100, ChiSquare = 6.4415e-01 1.E44 HG3 = 2.260(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.6375e-01 1.E44 N = 119.840(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.1149e-01 1.R45 C = 174.538(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.5644e-01 1.R45 H = 7.501(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.2571e-01 1.R45 HA = 4.261(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.3243e-01 1.R45 HB2 = 1.991(D), Expected = 1.79, Std = 0.2700, ChiSquare = 4.5661e-01 1.R45 HB3 = 1.991(D), Expected = 1.76, Std = 0.2800, ChiSquare = 4.0937e-01 1.R45 N = 118.661(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.6107e-01 1.L46 C = 174.397(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.9033e-01 1.L46 H = 7.735(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.4634e-01 1.L46 HA = 4.310(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.8303e-01 1.L46 HB2 = 1.775(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.2747e-01 1.L46 HB3 = 1.636(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.4728e-01 1.L46 HD11 = 0.887(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.2464e-01 1.L46 HD12 = 0.887(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.2464e-01 1.L46 HD13 = 0.887(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.2464e-01 1.L46 HD21 = 0.887(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.8825e-01 1.L46 HD22 = 0.887(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.8825e-01 1.L46 HD23 = 0.887(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.8825e-01 1.L46 N = 120.808(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8736e-01 1.A47 C = 174.768(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.6292e-01 1.A47 CA = 52.709(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.2768e-01 1.A47 CB = 19.543(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.7085e-01 1.A47 H = 7.797(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.0180e-01 1.A47 HA = 4.397(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.5552e-01 1.A47 HB1 = 1.436(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.4082e-01 1.A47 HB2 = 1.436(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.4082e-01 1.A47 HB3 = 1.436(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.4082e-01 1.A47 N = 123.902(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.4944e-01 1.C48 C = 171.126(D), Expected = 174.95, Std = 2.0700, ChiSquare = 6.4698e-02 1.C48 CB = 40.951(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.5918e-01 1.C48 H = 8.304(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.9787e-01 1.C48 HA = 4.747(D), Expected = 4.66, Std = 0.5500, ChiSquare = 8.7431e-01 1.C48 HB2 = 3.343(D), Expected = 2.96, Std = 0.4400, ChiSquare = 3.8405e-01 1.C48 HB3 = 2.978(D), Expected = 2.89, Std = 0.4600, ChiSquare = 8.4829e-01 1.C48 N = 118.155(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.6409e-01 1.D49 CA = 56.312(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.2428e-01 1.D49 CB = 42.435(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.3712e-01 1.D49 H = 8.095(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.1087e-01 1.D49 HA = 4.424(D), Expected = 4.59, Std = 0.3200, ChiSquare = 6.0393e-01 1.D49 HB2 = 2.605(D), Expected = 2.72, Std = 0.2600, ChiSquare = 6.5827e-01 1.D49 HB3 = 2.664(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.8860e-01 1.D49 N = 127.625(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.0763e-02