Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 169.636(D) CA :: 61.566(D) CB :: 69.025(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) 1.Y3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.21 L 0.18 F 0.13 C 0.12 D 0.11 Y 0.11 R 0.08 I 0.01 N 0.01 C Shift Assignments>> C :: 174.156(D) CA :: 56.754(D) CB :: 41.587(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 :: 8.563(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 :: 121.867(D) Ave N Shift Values>> N :: 120.79(4.69) 1.N4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.21 C 0.12 N 0.11 K 0.08 R 0.06 F 0.03 Y 0.02 G 0.01 C Shift Assignments>> C :: 173.948(D) CA :: 52.126(D) CB :: 41.981(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 :: 9.654(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 :: 119.237(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.22 I 0.19 C 0.17 K 0.06 L 0.03 D 0.01 R 0.01 C Shift Assignments>> C :: 172.470(D) CA :: 60.036(D) CB :: 40.562(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 :: 9.360(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 :: 124.542(D) Ave N Shift Values>> N :: 121.6(4.72) 1.I6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.19 C 0.16 K 0.14 I 0.1 L 0.06 R 0.03 D 0.02 HN Overlap>> 1.T148 1.T148 C Shift Assignments>> C :: 175.310(D) CA :: 59.234(D) CB :: 41.114(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 :: 8.873(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 :: 126.261(D) Ave N Shift Values>> N :: 121.6(4.72) 1.L7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.26 L 0.25 K 0.12 C 0.1 R 0.09 N 0.06 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 175.757(D) CA :: 53.287(D) CB :: 42.139(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 :: 8.299(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 :: 129.698(D) Ave N Shift Values>> N :: 121.98(4.07) 1.A8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.42 L 0.24 C 0.16 K 0.07 R 0.04 H 0.01 M 0.01 C Shift Assignments>> C :: 176.119(D) CA :: 50.996(D) CB :: 25.108(S) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.990(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.980(D) Ave N Shift Values>> N :: 123.23(3.7) 1.K9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> H 0.18 R 0.16 C 0.15 M 0.13 W 0.13 E 0.11 K 0.09 C Shift Assignments>> C :: 175.772(D) CA :: 55.037(D) CB :: 30.785(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 :: 11.417(S) 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 :: 125.948(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 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 :: 177.643(D) CA :: 60.985(D) CB :: 63.663(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.917(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 :: 109.699(D) Ave N Shift Values>> N :: 116.3(3.95) 1.A11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.79 M 0.18 C 0.01 C Shift Assignments>> C :: 177.320(D) CA :: 51.941(D) CB :: 18.328(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.417(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.401(D) Ave N Shift Values>> N :: 123.23(3.7) 1.L12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.66 L 0.14 C 0.09 R 0.04 D 0.02 C Shift Assignments>> C :: 172.394(D) CA :: 52.969(D) CB :: 44.977(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 :: 8.624(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 :: 126.536(D) Ave N Shift Values>> N :: 121.98(4.07) 1.E13 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 N 0.19 Y 0.13 M 0.12 F 0.06 K 0.05 D 0.02 I 0.01 C Shift Assignments>> C :: 175.564(D) CA :: 54.910(D) CB :: 36.541(S) 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 :: 9.077(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 :: 123.214(D) Ave N Shift Values>> N :: 120.68(3.68) 1.L14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.26 L 0.21 K 0.14 C 0.1 N 0.08 F 0.07 Y 0.05 R 0.05 C Shift Assignments>> C :: 177.643(D) CA :: 54.082(D) CB :: 41.508(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 :: 8.464(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 :: 121.183(D) Ave N Shift Values>> N :: 121.98(4.07) 1.I15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.35 Y 0.21 C 0.19 F 0.18 E 0.03 C Shift Assignments>> C :: 174.387(D) CA :: 60.658(D) CB :: 38.354(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 :: 7.772(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 :: 120.710(D) Ave N Shift Values>> N :: 121.6(4.72) 1.P16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.41 P 0.35 C 0.11 I 0.03 W 0.03 K 0.01 R 0.01 C Shift Assignments>> C :: 177.179(D) CA :: 62.884(D) CB :: 32.591(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) 1.E17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 I 0.15 C 0.15 E 0.13 K 0.12 H 0.09 R 0.09 V 0.02 M 0.01 L 0.01 HN Overlap>> 1.N116 1.N116 C Shift Assignments>> C :: 178.313(D) CA :: 59.389(D) CB :: 28.893(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 :: 8.703(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 :: 124.583(D) Ave N Shift Values>> N :: 120.68(3.68) 1.E18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 E 0.15 K 0.14 C 0.14 H 0.12 R 0.1 I 0.09 M 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 177.089(D) CA :: 58.650(D) CB :: 29.043(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 :: 9.383(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 :: 115.089(D) Ave N Shift Values>> N :: 120.68(3.68) 1.I19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.32 Y 0.22 C 0.19 F 0.19 E 0.03 C Shift Assignments>> C :: 176.211(D) CA :: 60.422(D) CB :: 38.433(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 :: 7.310(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 :: 109.230(D) Ave N Shift Values>> N :: 121.6(4.72) 1.K20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 V 0.2 W 0.12 K 0.09 R 0.08 M 0.07 E 0.07 H 0.05 P 0.03 I 0.03 C Shift Assignments>> C :: 177.389(D) CA :: 60.036(D) CB :: 32.204(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 :: 7.349(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 :: 123.527(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.32 C 0.27 E 0.11 Y 0.1 M 0.05 F 0.05 D 0.04 K 0.01 C Shift Assignments>> C :: 175.634(D) CA :: 53.982(D) CB :: 37.093(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 :: 8.409(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 :: 114.074(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 C 0.23 K 0.22 H 0.07 R 0.07 W 0.06 E 0.03 V 0.01 C Shift Assignments>> C :: 175.888(D) CA :: 55.475(D) CB :: 33.308(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 :: 7.710(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 :: 117.738(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.29 Y 0.23 F 0.2 C 0.2 E 0.04 C Shift Assignments>> C :: 175.195(D) CA :: 60.113(D) CB :: 38.512(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 :: 7.035(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 :: 119.855(D) Ave N Shift Values>> N :: 121.6(4.72) 1.R24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 C 0.16 R 0.16 M 0.14 W 0.12 E 0.1 K 0.08 C Shift Assignments>> C :: 176.096(D) CA :: 54.459(D) CB :: 30.785(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 :: 8.496(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 :: 127.589(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) 1.K25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.19 C 0.19 M 0.17 R 0.1 W 0.1 H 0.08 E 0.07 V 0.04 HN Overlap>> 1.Y201 1.Y201 C Shift Assignments>> C :: 175.934(D) CA :: 57.189(D) CB :: 32.598(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 :: 8.480(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 :: 124.620(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.548(D) CA :: 56.119(D) CB :: 65.398(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.244(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 :: 117.667(D) Ave N Shift Values>> N :: 116.3(3.95) 1.R27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.16 W 0.16 R 0.15 H 0.15 C 0.13 K 0.1 M 0.06 I 0.03 V 0.01 HN Overlap>> 1.E123 1.E123 C Shift Assignments>> C :: 176.327(D) CA :: 57.441(D) CB :: 30.075(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 :: 8.601(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 :: 122.035(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) 1.V28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.43 P 0.35 C 0.11 I 0.03 W 0.02 HN Overlap>> 1.K86 1.K86 1.I60 1.I60 C Shift Assignments>> C :: 174.363(D) CA :: 63.094(D) CB :: 32.835(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 :: 7.671(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 :: 114.386(D) Ave N Shift Values>> N :: 121.02(4.96) 1.Y29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 F 0.24 C 0.21 I 0.13 E 0.04 D 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 174.248(D) CA :: 58.276(D) CB :: 38.827(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 :: 7.420(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 :: 121.183(D) Ave N Shift Values>> N :: 120.79(4.69) 1.K30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 C 0.16 H 0.14 R 0.14 K 0.13 W 0.11 E 0.08 C Shift Assignments>> C :: 174.528(D) CA :: 54.884(D) CB :: 31.573(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 :: 6.980(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 :: 125.636(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y31 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Anomalous N Shifts: Duplicate PRTL>> Y 0.25 F 0.24 C 0.19 D 0.08 I 0.07 L 0.06 N 0.03 K 0.02 E 0.01 C Shift Assignments>> C :: 174.498(D) CA :: 57.329(D) CB :: 39.616(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 :: 5.598(A) 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 :: 117.120(D) Ave N Shift Values>> N :: 120.79(4.69) 1.D32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 N 0.25 C 0.12 L 0.12 F 0.06 Y 0.06 K 0.03 C Shift Assignments>> C :: 174.820(D) CA :: 53.030(D) CB :: 40.404(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 :: 9.509(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 :: 121.027(D) Ave N Shift Values>> N :: 120.73(4.2) 1.I33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 F 0.23 C 0.22 I 0.14 E 0.05 D 0.02 L 0.01 N 0.01 C Shift Assignments>> C :: 176.234(D) CA :: 58.285(D) CB :: 38.669(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 :: 6.478(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 :: 117.252(D) Ave N Shift Values>> N :: 121.6(4.72) 1.L34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.28 R 0.22 D 0.12 K 0.11 C 0.1 F 0.05 Y 0.04 G 0.02 N 0.01 C Shift Assignments>> C :: 175.342(D) CA :: 55.071(D) CB :: 42.927(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 :: 8.558(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 :: 131.104(D) Ave N Shift Values>> N :: 121.98(4.07) 1.D35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> L 0.3 R 0.18 D 0.17 C 0.11 K 0.07 G 0.05 F 0.03 Y 0.02 N 0.02 C Shift Assignments>> C :: 177.695(D) CA :: 53.455(D) CB :: 43.042(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 :: 10.949(S) 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 :: 132.787(D) Ave N Shift Values>> N :: 120.73(4.2) 1.S36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.978(D) CA :: 61.667(D) CB :: 63.821(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 10.451(S) 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 :: 125.167(D) Ave N Shift Values>> N :: 116.3(3.95) 1.N37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.23 C 0.22 F 0.19 D 0.09 N 0.09 I 0.05 E 0.05 L 0.04 C Shift Assignments>> C :: 175.357(D) CA :: 56.401(D) CB :: 38.748(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 :: 9.226(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 :: 119.855(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.27 C 0.19 I 0.14 L 0.03 D 0.03 E 0.01 K 0.01 C Shift Assignments>> C :: 177.643(D) CA :: 58.605(D) CB :: 39.537(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 :: 7.442(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 :: 114.824(D) Ave N Shift Values>> N :: 120.79(4.69) 1.H39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.26 C 0.22 K 0.2 H 0.08 R 0.08 W 0.07 E 0.04 V 0.01 C Shift Assignments>> C :: 175.865(D) CA :: 54.938(D) CB :: 33.072(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 :: 8.417(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 :: 118.448(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Y40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.42 C 0.24 Y 0.11 F 0.07 E 0.06 V 0.05 C Shift Assignments>> C :: 177.584(D) CA :: 61.911(D) CB :: 36.777(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 :: 7.527(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 :: 119.381(D) Ave N Shift Values>> N :: 120.79(4.69) 1.K41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.16 R 0.14 E 0.13 H 0.1 K 0.09 M 0.09 V 0.06 I 0.03 C Shift Assignments>> C :: 178.675(D) CA :: 58.735(D) CB :: 31.219(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 :: 8.079(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 :: 120.011(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.67 M 0.26 C 0.03 L 0.01 C Shift Assignments>> C :: 177.712(D) CA :: 53.305(D) CB :: 19.589(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.537(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.870(D) Ave N Shift Values>> N :: 123.23(3.7) 1.M43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 M 0.23 K 0.22 E 0.08 W 0.05 H 0.05 R 0.04 V 0.02 Y 0.01 C Shift Assignments>> C :: 175.495(D) CA :: 56.344(D) CB :: 33.860(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 :: 7.530(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 :: 113.605(D) Ave N Shift Values>> N :: 120.1(3.88) 1.E44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.18 C 0.16 I 0.13 E 0.13 R 0.11 H 0.09 K 0.08 V 0.05 M 0.02 P 0.01 C Shift Assignments>> C :: 176.604(D) CA :: 59.832(D) CB :: 29.760(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 :: 6.933(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 :: 117.042(D) Ave N Shift Values>> N :: 120.68(3.68) 1.K45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 C 0.17 H 0.15 R 0.14 K 0.12 W 0.1 E 0.07 C Shift Assignments>> C :: 176.026(D) CA :: 54.319(D) CB :: 31.495(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 :: 8.009(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 :: 115.089(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 R 0.22 D 0.12 C 0.11 G 0.06 K 0.06 F 0.03 Y 0.02 N 0.01 C Shift Assignments>> C :: 176.673(D) CA :: 54.211(D) CB :: 43.321(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 :: 7.561(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 :: 122.745(D) Ave N Shift Values>> N :: 121.98(4.07) 1.K47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.17 C 0.17 K 0.16 R 0.12 W 0.11 H 0.1 E 0.09 V 0.03 HN Overlap>> 1.H149 1.H149 C Shift Assignments>> C :: 175.795(D) CA :: 56.880(D) CB :: 32.125(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 :: 8.456(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 :: 128.058(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 N 0.19 Y 0.18 F 0.14 D 0.12 E 0.05 L 0.03 I 0.02 M 0.01 C Shift Assignments>> C :: 177.204(D) CA :: 55.332(D) CB :: 38.512(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 :: 8.876(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 :: 119.362(D) Ave N Shift Values>> N :: 120.73(4.2) 1.K49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 V 0.18 W 0.14 R 0.09 E 0.08 K 0.07 M 0.06 H 0.05 I 0.05 P 0.04 C Shift Assignments>> C :: 176.696(D) CA :: 60.169(D) CB :: 31.731(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 :: 7.113(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 :: 115.011(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 K 0.15 C 0.13 W 0.13 E 0.1 H 0.1 I 0.1 L 0.06 M 0.01 C Shift Assignments>> C :: 176.601(D) CA :: 58.200(D) CB :: 28.025(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 :: 8.998(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 :: 117.589(D) Ave N Shift Values>> N :: 120.68(3.68) 1.M51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.29 M 0.21 E 0.18 K 0.15 Y 0.03 N 0.02 W 0.02 H 0.02 R 0.01 V 0.01 F 0.01 C Shift Assignments>> C :: 174.506(D) CA :: 55.501(D) CB :: 34.964(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 :: 7.852(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 :: 115.480(D) Ave N Shift Values>> N :: 120.1(3.88) 1.R52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 E 0.23 M 0.14 K 0.08 Y 0.07 N 0.07 F 0.02 I 0.01 C Shift Assignments>> C :: 176.373(D) CA :: 55.273(D) CB :: 35.902(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 :: 6.893(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 :: 115.963(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) 1.G53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 174.702(D) CA :: 46.585(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.508(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.662(D) Ave N Shift Values>> N :: 109.91(4.29) 1.R54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.33 C 0.21 H 0.14 R 0.08 M 0.07 W 0.07 K 0.03 E 0.02 C Shift Assignments>> C :: 172.536(D) CA :: 51.521(D) CB :: 30.312(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 :: 7.498(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 :: 116.730(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) 1.P55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.42 P 0.41 I 0.08 C 0.05 W 0.01 C Shift Assignments>> C :: 177.874(D) CA :: 64.898(D) CB :: 31.566(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) 1.D56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 Y 0.23 F 0.17 N 0.09 E 0.08 D 0.07 I 0.05 L 0.02 M 0.01 C Shift Assignments>> C :: 177.343(D) CA :: 56.350(D) CB :: 38.354(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 :: 9.044(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 :: 117.882(D) Ave N Shift Values>> N :: 120.73(4.2) 1.I57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.76 C 0.11 F 0.04 Y 0.04 V 0.02 C Shift Assignments>> C :: 178.267(D) CA :: 65.091(D) CB :: 38.084(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 :: 7.565(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 :: 119.513(D) Ave N Shift Values>> N :: 121.6(4.72) 1.I58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.32 C 0.25 I 0.23 P 0.05 E 0.04 Y 0.04 F 0.01 K 0.01 C Shift Assignments>> C :: 175.911(D) CA :: 62.672(D) CB :: 35.316(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 :: 7.239(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 :: 120.245(D) Ave N Shift Values>> N :: 121.6(4.72) 1.H59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 V 0.14 K 0.14 W 0.11 M 0.1 R 0.09 E 0.07 H 0.05 I 0.01 P 0.01 C Shift Assignments>> C :: 175.327(D) CA :: 59.260(D) CB :: 32.591(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 :: 7.875(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 :: 121.127(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.I60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.24 S 0.2 V 0.19 T 0.16 I 0.13 C 0.02 F 0.01 Y 0.01 HN Overlap>> 1.V28 1.V28 C Shift Assignments>> C :: 178.336(D) CA :: 63.403(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 :: 7.761(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 :: 114.419(D) Ave N Shift Values>> N :: 121.6(4.72) 1.S61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.28 V 0.27 T 0.21 I 0.16 C 0.02 F 0.01 C Shift Assignments>> C :: 175.771(D) CA :: 64.191(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.446(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 :: 114.371(D) Ave N Shift Values>> N :: 116.3(3.95) 1.L62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.22 L 0.16 R 0.15 F 0.13 C 0.12 Y 0.1 D 0.06 I 0.02 HN Overlap>> 1.L111 1.L111 C Shift Assignments>> C :: 178.082(D) CA :: 57.525(D) CB :: 42.060(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 :: 8.397(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 :: 120.158(D) Ave N Shift Values>> N :: 121.98(4.07) 1.L63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.23 C 0.17 I 0.08 L 0.07 D 0.06 K 0.06 N 0.01 C Shift Assignments>> C :: 181.084(D) CA :: 57.932(D) CB :: 40.202 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 :: 7.774(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 :: 119.727(D) Ave N Shift Values>> N :: 121.98(4.07) 1.N64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.3 C 0.25 Y 0.12 E 0.1 F 0.07 D 0.06 M 0.04 I 0.01 K 0.01 L 0.01 C Shift Assignments>> C :: 178.321(D) CA :: 54.349(D) CB :: 37.408(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 :: 7.388(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 :: 117.891(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.75 C 0.1 F 0.08 Y 0.05 C Shift Assignments>> C :: 179.625(D) CA :: 65.136(D) CB :: 39.687 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 :: 8.378(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 :: 121.027(D) Ave N Shift Values>> N :: 121.6(4.72) 1.L66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.17 Y 0.15 D 0.15 L 0.15 C 0.14 K 0.13 N 0.03 I 0.02 R 0.02 C Shift Assignments>> C :: 177.753(D) CA :: 56.493(D) CB :: 40.771(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 :: 9.093(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 :: 117.329(D) Ave N Shift Values>> N :: 121.98(4.07) 1.D67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.27 L 0.24 C 0.12 R 0.09 K 0.08 N 0.07 F 0.03 G 0.03 Y 0.02 C Shift Assignments>> C :: 173.963(D) CA :: 52.238(D) CB :: 42.375(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 :: 6.792(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 :: 113.187(D) Ave N Shift Values>> N :: 120.73(4.2) 1.S68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.808(D) CA :: 57.722(D) CB :: 62.007(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.346(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 :: 113.137(D) Ave N Shift Values>> N :: 116.3(3.95) 1.P69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.4 I 0.39 P 0.12 C 0.06 C Shift Assignments>> C :: 177.041(D) CA :: 66.951(D) CB :: 29.736(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) 1.I70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.42 C 0.22 Y 0.15 F 0.1 E 0.05 V 0.02 C Shift Assignments>> C :: 175.634(D) CA :: 61.547(D) CB :: 37.345(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 :: 7.654(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 :: 113.010(D) Ave N Shift Values>> N :: 121.6(4.72) 1.N71 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.21 Y 0.18 C 0.15 L 0.12 K 0.12 D 0.11 I 0.04 N 0.02 R 0.01 HN Overlap>> 1.V106 1.V106 C Shift Assignments>> C :: 180.299(A) CA :: 57.090(D) CB :: 40.633(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 :: 7.379(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 :: 120.806(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.21 C 0.15 W 0.13 R 0.13 K 0.11 E 0.09 H 0.07 L 0.03 P 0.01 V 0.01 C Shift Assignments>> C :: 176.371(D) CA :: 59.614(D) CB :: 28.097(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 :: 8.196(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 :: 120.091(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 K 0.16 W 0.14 E 0.13 C 0.13 R 0.13 M 0.05 L 0.02 I 0.01 C Shift Assignments>> C :: 174.848(D) CA :: 55.810(D) CB :: 29.279(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 :: 7.813(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 :: 116.588(D) Ave N Shift Values>> N :: 120.68(3.68) 1.K74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.21 H 0.15 C 0.15 W 0.13 E 0.12 L 0.12 I 0.05 M 0.02 C Shift Assignments>> C :: 177.389(D) CA :: 56.855(D) CB :: 28.025(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 :: 8.010(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 :: 114.797(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 K 0.21 C 0.2 R 0.09 H 0.08 W 0.08 E 0.05 V 0.02 HN Overlap>> 1.D128 1.D128 1.Y166 1.Y166 C Shift Assignments>> C :: 174.641(D) CA :: 55.778(D) CB :: 32.914(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 :: 7.290(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 :: 115.455(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.77 C 0.11 L 0.08 R 0.01 C Shift Assignments>> C :: 177.343(D) CA :: 53.026(D) CB :: 45.995(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 :: 8.778(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 :: 118.605(D) Ave N Shift Values>> N :: 121.98(4.07) 1.N77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 N 0.31 C 0.12 L 0.1 F 0.05 Y 0.04 K 0.02 C Shift Assignments>> C :: 173.384(D) CA :: 52.345(D) CB :: 40.325(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 :: 9.050(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 :: 121.873(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.35 F 0.25 Y 0.18 C 0.16 K 0.02 C Shift Assignments>> C :: 173.546(D) CA :: 61.465(D) CB :: 40.397(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 :: 8.677(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 :: 124.165(D) Ave N Shift Values>> N :: 121.6(4.72) 1.Y79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 K 0.18 R 0.16 D 0.13 C 0.1 F 0.08 Y 0.06 N 0.01 C Shift Assignments>> C :: 174.895(D) CA :: 55.661(D) CB :: 42.296(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 :: 8.818(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 :: 123.527(D) Ave N Shift Values>> N :: 120.79(4.69) 1.I80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 F 0.26 C 0.19 I 0.17 L 0.02 D 0.02 E 0.02 C Shift Assignments>> C :: 174.333(D) CA :: 58.923(D) CB :: 39.300(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 :: 9.305(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 :: 120.870(D) Ave N Shift Values>> N :: 121.6(4.72) 1.H81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 C 0.25 K 0.21 H 0.06 E 0.05 R 0.05 W 0.05 V 0.01 C Shift Assignments>> C :: 176.092(D) CA :: 55.004(D) CB :: 33.702(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 :: 9.741(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 :: 129.350(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.859(D) CA :: 62.056(D) CB :: 71.817(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 :: 9.367(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 :: 121.183(D) Ave N Shift Values>> N :: 115.7(5.05) 1.Y83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.53 F 0.16 C 0.14 Y 0.13 C Shift Assignments>> C :: 174.915(D) CA :: 62.559(D) CB :: 39.300(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 :: 8.520(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 :: 119.227(D) Ave N Shift Values>> N :: 120.79(4.69) 1.D84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.54 C 0.16 D 0.15 Y 0.05 F 0.04 L 0.02 C Shift Assignments>> C :: 173.914(D) CA :: 52.126(D) CB :: 38.512(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 :: 8.182(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 :: 112.277(D) Ave N Shift Values>> N :: 120.73(4.2) 1.D85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 Y 0.22 F 0.14 E 0.14 N 0.07 I 0.05 D 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 174.472(D) CA :: 56.597(D) CB :: 37.802(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 :: 7.797(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 :: 114.152(D) Ave N Shift Values>> N :: 120.73(4.2) 1.K86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.26 C 0.23 K 0.2 H 0.08 R 0.08 W 0.06 E 0.03 V 0.01 HN Overlap>> 1.V28 1.V28 C Shift Assignments>> C :: 175.513(D) CA :: 54.516(D) CB :: 33.072(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 :: 7.605(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 :: 114.371(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.31 V 0.21 E 0.12 I 0.08 K 0.07 M 0.06 Y 0.04 W 0.03 P 0.01 F 0.01 R 0.01 C Shift Assignments>> C :: 174.664(D) CA :: 60.478(D) CB :: 34.727(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 :: 9.171(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 :: 119.230(D) Ave N Shift Values>> N :: 121.02(4.96) 1.L88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 D 0.25 R 0.11 C 0.11 K 0.08 N 0.05 F 0.03 G 0.03 Y 0.02 C Shift Assignments>> C :: 175.351(D) CA :: 52.611(D) CB :: 42.533(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 :: 9.744(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 :: 127.589(D) Ave N Shift Values>> N :: 121.98(4.07) 1.K89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 C 0.24 K 0.21 H 0.06 R 0.06 W 0.05 E 0.04 V 0.01 C Shift Assignments>> C :: 175.865(D) CA :: 55.143(D) CB :: 33.545(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 :: 9.030(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 :: 125.167(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 Y 0.23 I 0.16 F 0.15 E 0.14 M 0.01 C Shift Assignments>> C :: 174.317(D) CA :: 58.742(D) CB :: 37.644(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 :: 7.907(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 :: 127.198(D) Ave N Shift Values>> N :: 121.6(4.72) 1.N91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.44 D 0.22 C 0.14 Y 0.06 F 0.05 L 0.04 C Shift Assignments>> C :: 175.264(D) CA :: 52.663(D) CB :: 39.221(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 :: 8.653(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 :: 128.292(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.64 P 0.24 C 0.07 I 0.02 C Shift Assignments>> C :: 177.133(D) CA :: 65.456(D) CB :: 33.695(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) 1.E93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.18 H 0.17 C 0.13 W 0.12 R 0.12 E 0.12 L 0.06 M 0.03 I 0.02 C Shift Assignments>> C :: 175.865(D) CA :: 55.726(D) CB :: 28.735(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 :: 8.857(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 :: 114.620(D) Ave N Shift Values>> N :: 120.68(3.68) 1.T94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.K168 1.K168 C Shift Assignments>> C :: 173.576(D) CA :: 65.942(D) CB :: 68.861(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 :: 7.831(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 :: 119.113(D) Ave N Shift Values>> N :: 115.7(5.05) 1.R95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.2 C 0.17 K 0.17 W 0.11 L 0.09 R 0.09 E 0.08 M 0.04 C Shift Assignments>> C :: 175.219(D) CA :: 53.783(D) CB :: 28.656(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 :: 8.404(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 :: 129.352(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) 1.L96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 D 0.19 G 0.16 C 0.14 R 0.12 N 0.04 K 0.03 F 0.02 Y 0.01 C Shift Assignments>> C :: 174.109(D) CA :: 51.597(D) CB :: 43.085(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 :: 8.056(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 :: 127.042(D) Ave N Shift Values>> N :: 121.98(4.07) 1.P97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.42 P 0.36 C 0.1 I 0.03 W 0.02 C Shift Assignments>> C :: 175.745(D) CA :: 63.065(D) CB :: 32.670(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) 1.R98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 E 0.16 R 0.14 C 0.14 H 0.13 K 0.09 M 0.05 I 0.04 V 0.02 C Shift Assignments>> C :: 175.628(D) CA :: 58.224(D) CB :: 30.154(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 :: 8.291(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 :: 123.888(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) 1.N99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 N 0.29 C 0.12 L 0.1 F 0.06 Y 0.06 K 0.02 C Shift Assignments>> C :: 175.581(D) CA :: 52.913(D) CB :: 40.168(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 :: 7.594(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 :: 117.394(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.3 Y 0.23 F 0.23 C 0.18 E 0.01 HN Overlap>> 1.I161 1.I161 C Shift Assignments>> C :: 175.511(D) CA :: 60.321(D) CB :: 39.056(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 :: 8.849(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 :: 128.214(D) Ave N Shift Values>> N :: 120.79(4.69) 1.F101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.29 E 0.26 Y 0.11 I 0.09 M 0.06 K 0.05 F 0.04 V 0.04 C Shift Assignments>> C :: 177.400(D) CA :: 58.975(D) CB :: 35.910(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 :: 7.178(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 :: 116.368(D) Ave N Shift Values>> N :: 120.69(4.18) 1.R102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 E 0.15 C 0.14 K 0.13 H 0.11 R 0.11 I 0.09 M 0.02 V 0.02 HN Overlap>> 1.L152 1.L152 C Shift Assignments>> C :: 179.750(D) CA :: 58.775(D) CB :: 29.287(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 :: 8.095(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 :: 118.744(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) 1.F103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.34 C 0.24 Y 0.16 F 0.1 E 0.09 V 0.02 C Shift Assignments>> C :: 175.218(D) CA :: 60.956(D) CB :: 37.093(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 :: 7.969(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 :: 121.209(D) Ave N Shift Values>> N :: 120.69(4.18) 1.L104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 Y 0.21 C 0.16 D 0.1 L 0.1 K 0.07 I 0.05 N 0.02 HN Overlap>> 1.K146 1.K146 C Shift Assignments>> C :: 178.452(D) CA :: 57.292(D) CB :: 40.275(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 :: 7.771(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 :: 121.005(D) Ave N Shift Values>> N :: 121.98(4.07) 1.G105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.71 C 0.21 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 176.119(D) CA :: 47.232(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.663(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.855(D) Ave N Shift Values>> N :: 109.91(4.29) 1.V106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.52 P 0.34 I 0.07 C 0.05 HN Overlap>> 1.N71 1.N71 C Shift Assignments>> C :: 178.452(D) CA :: 65.784(D) CB :: 31.652(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 :: 7.349(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 :: 120.870(D) Ave N Shift Values>> N :: 121.02(4.96) 1.M107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.16 C 0.16 R 0.14 K 0.14 H 0.13 W 0.12 E 0.1 V 0.01 C Shift Assignments>> C :: 177.551(D) CA :: 55.946(D) CB :: 31.652(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 :: 7.679(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 :: 116.351(D) Ave N Shift Values>> N :: 120.1(3.88) 1.E108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.19 W 0.17 C 0.16 E 0.12 K 0.1 R 0.08 H 0.08 V 0.03 M 0.01 C Shift Assignments>> C :: 176.904(D) CA :: 59.944(D) CB :: 29.050(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 :: 8.996(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 :: 120.300(D) Ave N Shift Values>> N :: 120.68(3.68) 1.K109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 V 0.17 W 0.12 K 0.11 R 0.09 M 0.08 E 0.07 H 0.05 I 0.03 P 0.02 C Shift Assignments>> C :: 178.336(D) CA :: 59.749(D) CB :: 32.271(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 :: 6.872(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 :: 115.764(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.5 P 0.34 I 0.08 C 0.05 C Shift Assignments>> C :: 180.068(D) CA :: 65.794(D) CB :: 31.490(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 :: 7.215(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 :: 117.355(D) Ave N Shift Values>> N :: 121.02(4.96) 1.L111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 Y 0.18 K 0.15 C 0.15 L 0.11 D 0.07 I 0.05 R 0.03 N 0.01 HN Overlap>> 1.L62 1.L62 C Shift Assignments>> C :: 178.199(D) CA :: 57.694(D) CB :: 40.877(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 :: 8.460(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 :: 120.167(D) Ave N Shift Values>> N :: 121.98(4.07) 1.K112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 K 0.19 M 0.17 R 0.1 W 0.1 H 0.08 E 0.07 V 0.04 C Shift Assignments>> C :: 176.719(D) CA :: 57.332(D) CB :: 32.677(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 :: 7.681(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 :: 116.515(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.73 L 0.1 C 0.08 R 0.05 C Shift Assignments>> C :: 174.617(D) CA :: 45.150(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.852(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.574(D) Ave N Shift Values>> N :: 109.91(4.29) 1.E114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.17 H 0.17 W 0.14 E 0.14 C 0.13 R 0.12 M 0.04 L 0.03 I 0.02 C Shift Assignments>> C :: 176.924(D) CA :: 56.412(D) CB :: 29.050(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 :: 8.017(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 :: 121.027(D) Ave N Shift Values>> N :: 120.68(3.68) 1.R115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 E 0.15 W 0.15 R 0.14 K 0.13 C 0.13 M 0.05 I 0.02 C Shift Assignments>> C :: 175.511(D) CA :: 56.821(D) CB :: 29.674(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 :: 8.542(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 :: 126.339(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) 1.N116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 N 0.25 L 0.13 C 0.11 F 0.05 Y 0.04 K 0.04 HN Overlap>> 1.E17 1.E17 C Shift Assignments>> C :: 175.172(D) CA :: 52.425(D) CB :: 40.719(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 :: 8.778(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 :: 124.542(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> K 0.17 W 0.14 E 0.13 C 0.13 H 0.13 R 0.12 I 0.06 L 0.03 M 0.02 C Shift Assignments>> C :: 174.518(D) CA :: 57.722(D) CB :: 28.649(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) 1.L118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 K 0.18 D 0.15 R 0.14 C 0.1 F 0.07 Y 0.05 N 0.02 C Shift Assignments>> C :: 175.010(D) CA :: 55.416(D) CB :: 42.210(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 :: 8.244(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 :: 118.683(D) Ave N Shift Values>> N :: 121.98(4.07) 1.I119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.24 I 0.23 C 0.17 K 0.02 L 0.02 D 0.01 C Shift Assignments>> C :: 173.440(D) CA :: 60.000(D) CB :: 40.010(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 :: 7.263(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 :: 118.761(D) Ave N Shift Values>> N :: 121.6(4.72) 1.K120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 M 0.24 K 0.16 E 0.13 N 0.02 H 0.02 Y 0.02 W 0.02 R 0.01 C Shift Assignments>> C :: 174.987(D) CA :: 54.703(D) CB :: 34.727(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 :: 7.887(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 :: 125.596(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.31 E 0.19 N 0.16 M 0.11 Y 0.08 K 0.05 F 0.03 D 0.01 I 0.01 HN Overlap>> 1.L169 1.L169 C Shift Assignments>> C :: 174.872(D) CA :: 54.499(D) CB :: 36.304(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 :: 8.638(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 :: 125.521(D) Ave N Shift Values>> N :: 120.1(3.88) 1.E122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 C 0.22 K 0.17 H 0.11 R 0.1 W 0.08 E 0.04 C Shift Assignments>> C :: 173.740(D) CA :: 54.095(D) CB :: 32.520(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 :: 9.218(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 :: 124.308(D) Ave N Shift Values>> N :: 120.68(3.68) 1.E123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.18 H 0.17 W 0.13 C 0.13 E 0.13 R 0.12 L 0.05 M 0.03 I 0.02 HN Overlap>> 1.R27 1.R27 C Shift Assignments>> C :: 175.102(D) CA :: 56.101(D) CB :: 28.814(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 :: 8.543(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 :: 122.042(D) Ave N Shift Values>> N :: 120.68(3.68) 1.K124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 E 0.23 M 0.13 N 0.09 Y 0.08 K 0.06 F 0.03 I 0.01 C Shift Assignments>> C :: 173.578(D) CA :: 55.143(D) CB :: 36.068(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 :: 8.048(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 :: 126.339(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.502(D) CA :: 60.394(D) CB :: 70.977(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 :: 7.836(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 :: 109.542(D) Ave N Shift Values>> N :: 115.7(5.05) 1.L126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 Y 0.19 C 0.15 K 0.12 L 0.11 D 0.09 I 0.05 R 0.02 N 0.01 C Shift Assignments>> C :: 177.712(D) CA :: 57.494(D) CB :: 40.700(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 :: 8.536(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 :: 122.276(D) Ave N Shift Values>> N :: 121.98(4.07) 1.E127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.42 P 0.31 C 0.1 W 0.04 R 0.04 K 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 176.996(D) CA :: 62.025(D) CB :: 27.316(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 :: 9.320(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 :: 116.105(D) Ave N Shift Values>> N :: 120.68(3.68) 1.D128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.23 F 0.22 C 0.18 D 0.12 L 0.07 N 0.05 I 0.05 K 0.02 E 0.01 HN Overlap>> 1.K75 1.K75 C Shift Assignments>> C :: 179.283(D) CA :: 56.754(D) CB :: 39.608(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 :: 7.228(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 :: 115.376(D) Ave N Shift Values>> N :: 120.73(4.2) 1.L129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 Y 0.19 C 0.15 K 0.13 L 0.1 D 0.06 I 0.06 R 0.02 C Shift Assignments>> C :: 176.996(D) CA :: 57.913(D) CB :: 40.798(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 :: 8.244(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 :: 123.450(D) Ave N Shift Values>> N :: 121.98(4.07) 1.L130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 Y 0.2 C 0.16 L 0.1 K 0.1 D 0.09 I 0.05 N 0.01 R 0.01 C Shift Assignments>> C :: 177.712(D) CA :: 57.441(D) CB :: 40.483(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 :: 7.758(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 :: 116.994(D) Ave N Shift Values>> N :: 121.98(4.07) 1.N131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.29 N 0.19 E 0.17 Y 0.11 M 0.07 F 0.05 K 0.03 D 0.02 I 0.01 HN Overlap>> 1.K175 1.K175 C Shift Assignments>> C :: 178.474(D) CA :: 54.741(D) CB :: 36.777(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 :: 7.247(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 :: 115.946(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 C 0.15 E 0.14 K 0.14 I 0.12 H 0.1 R 0.09 M 0.02 V 0.01 L 0.01 HN Overlap>> 1.I180 1.I180 C Shift Assignments>> C :: 178.036(D) CA :: 59.027(D) CB :: 28.893(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 :: 8.394(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 :: 124.698(D) Ave N Shift Values>> N :: 120.68(3.68) 1.I133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.3 C 0.26 Y 0.14 E 0.12 F 0.08 V 0.04 M 0.01 K 0.01 C Shift Assignments>> C :: 175.079(D) CA :: 60.872(D) CB :: 36.646(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 :: 7.671(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 :: 110.246(D) Ave N Shift Values>> N :: 121.6(4.72) 1.N134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.34 C 0.29 E 0.1 Y 0.07 M 0.07 F 0.03 D 0.03 K 0.02 C Shift Assignments>> C :: 173.760(D) CA :: 53.448(D) CB :: 36.729(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 :: 7.731(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 :: 118.029(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.71 M 0.22 C 0.03 L 0.01 C Shift Assignments>> C :: 177.323(D) CA :: 52.865(D) CB :: 19.668(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.592(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.665(D) Ave N Shift Values>> N :: 123.23(3.7) 1.K136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 E 0.19 M 0.17 K 0.16 V 0.04 Y 0.03 W 0.03 H 0.02 R 0.01 I 0.01 F 0.01 C Shift Assignments>> C :: 176.558(D) CA :: 57.551(D) CB :: 34.727(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 :: 9.124(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 :: 124.620(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 C 0.22 K 0.22 R 0.07 H 0.07 W 0.07 E 0.04 V 0.02 C Shift Assignments>> C :: 173.809(D) CA :: 55.816(D) CB :: 33.308(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 :: 10.074(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 :: 127.198(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 I 0.23 Y 0.23 C 0.17 K 0.03 L 0.02 C Shift Assignments>> C :: 173.324(D) CA :: 60.153(D) CB :: 40.168(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 :: 8.665(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 :: 125.854(D) Ave N Shift Values>> N :: 121.6(4.72) 1.A139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.88 M 0.05 C 0.02 G 0.02 C Shift Assignments>> C :: 176.073(D) CA :: 49.314(D) CB :: 19.195(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.658(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.184(D) Ave N Shift Values>> N :: 123.23(3.7) 1.I140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.3 Y 0.23 F 0.2 C 0.19 E 0.03 C Shift Assignments>> C :: 174.825(D) CA :: 60.243(D) CB :: 38.512(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 :: 8.771(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 :: 122.666(D) Ave N Shift Values>> N :: 121.6(4.72) 1.M141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 C 0.18 R 0.14 P 0.12 H 0.11 K 0.08 W 0.05 E 0.02 M 0.01 C Shift Assignments>> C :: 175.726(D) CA :: 52.321(D) CB :: 27.552(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 :: 8.486(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 :: 125.747(D) Ave N Shift Values>> N :: 120.1(3.88) 1.T142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.040(D) CA :: 59.044(D) CB :: 69.971(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 :: 8.830(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 :: 119.858(D) Ave N Shift Values>> N :: 115.7(5.05) 1.K143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 K 0.17 M 0.13 W 0.11 R 0.1 V 0.08 E 0.08 H 0.07 I 0.01 C Shift Assignments>> C :: 176.858(D) CA :: 58.328(D) CB :: 32.520(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 :: 8.566(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 :: 124.308(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.98 S 0.01 C Shift Assignments>> C :: 174.756(D) CA :: 61.011(D) CB :: 68.315(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 :: 7.537(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 :: 107.042(D) Ave N Shift Values>> N :: 115.7(5.05) 1.G145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.33 L 0.27 G 0.15 C 0.09 D 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 171.407(D) CA :: 43.729(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.522(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.996(D) Ave N Shift Values>> N :: 109.91(4.29) 1.K146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.2 K 0.19 C 0.19 R 0.1 W 0.09 H 0.09 E 0.07 V 0.02 HN Overlap>> 1.L104 1.L104 C Shift Assignments>> C :: 177.897(D) CA :: 56.464(D) CB :: 32.598(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 :: 7.679(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 :: 121.027(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.17 D 0.15 L 0.15 Y 0.14 K 0.13 C 0.13 N 0.03 R 0.02 I 0.02 C Shift Assignments>> C :: 176.881(D) CA :: 56.385(D) CB :: 40.798(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 :: 8.731(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 :: 133.920(D) Ave N Shift Values>> N :: 121.98(4.07) 1.T148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.I6 1.I6 C Shift Assignments>> C :: 171.915(D) CA :: 61.771(D) CB :: 72.100(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 :: 8.975(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 :: 126.261(D) Ave N Shift Values>> N :: 115.7(5.05) 1.H149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.16 H 0.15 C 0.15 M 0.14 W 0.13 E 0.12 K 0.1 V 0.01 HN Overlap>> 1.K47 1.K47 C Shift Assignments>> C :: 174.848(D) CA :: 55.778(D) CB :: 31.082(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 :: 8.543(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 :: 128.030(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.4 V 0.39 I 0.11 C 0.05 W 0.01 C Shift Assignments>> C :: 177.573(D) CA :: 64.981(D) CB :: 31.179(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) 1.K151 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.17 W 0.16 R 0.13 E 0.12 K 0.09 H 0.09 M 0.08 V 0.08 I 0.03 C Shift Assignments>> C :: 178.055(D) CA :: 59.027(D) CB :: 31.339(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 :: 10.946(S) 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 :: 122.390(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.23 L 0.17 K 0.12 C 0.12 F 0.12 Y 0.1 N 0.07 R 0.02 HN Overlap>> 1.R102 1.R102 C Shift Assignments>> C :: 178.552(D) CA :: 55.219(D) CB :: 40.877(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 :: 8.160(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 :: 118.808(D) Ave N Shift Values>> N :: 121.98(4.07) 1.L153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.25 F 0.24 C 0.19 D 0.08 I 0.07 L 0.05 N 0.03 E 0.02 K 0.01 C Shift Assignments>> C :: 176.812(D) CA :: 57.326(D) CB :: 39.450(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 :: 7.842(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 :: 118.208(D) Ave N Shift Values>> N :: 121.98(4.07) 1.K154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 K 0.16 M 0.13 W 0.12 R 0.11 E 0.08 V 0.08 H 0.07 I 0.01 C Shift Assignments>> C :: 176.350(D) CA :: 58.369(D) CB :: 32.362(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 :: 7.066(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 :: 112.199(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.18 H 0.16 W 0.14 E 0.13 C 0.13 R 0.12 L 0.04 M 0.03 I 0.03 C Shift Assignments>> C :: 175.333(D) CA :: 56.619(D) CB :: 28.814(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 :: 7.411(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 :: 116.410(D) Ave N Shift Values>> N :: 120.68(3.68) 1.Y156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.26 C 0.23 F 0.21 I 0.12 E 0.08 D 0.02 N 0.01 L 0.01 M 0.01 C Shift Assignments>> C :: 173.555(D) CA :: 57.965(D) CB :: 38.354(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 :: 7.718(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 :: 120.415(D) Ave N Shift Values>> N :: 120.79(4.69) 1.D157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 R 0.19 D 0.16 C 0.11 K 0.08 G 0.04 F 0.03 Y 0.02 N 0.02 C Shift Assignments>> C :: 175.542(D) CA :: 53.826(D) CB :: 43.006(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 :: 8.456(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 :: 113.292(D) Ave N Shift Values>> N :: 120.73(4.2) 1.T158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 170.530(D) CA :: 62.166(D) CB :: 72.176(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 :: 7.406(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 :: 117.074(D) Ave N Shift Values>> N :: 115.7(5.05) 1.F159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 R 0.21 K 0.16 C 0.1 D 0.1 F 0.07 Y 0.05 G 0.01 C Shift Assignments>> C :: 174.063(D) CA :: 55.946(D) CB :: 42.612(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 :: 8.708(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 :: 124.744(D) Ave N Shift Values>> N :: 120.69(4.18) 1.I160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.28 Y 0.24 F 0.23 C 0.19 E 0.02 C Shift Assignments>> C :: 173.486(D) CA :: 60.140(D) CB :: 38.985(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 :: 9.069(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 :: 121.583(D) Ave N Shift Values>> N :: 121.6(4.72) 1.I161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 C 0.17 Y 0.15 K 0.15 I 0.11 R 0.1 L 0.05 HN Overlap>> 1.Y100 1.Y100 C Shift Assignments>> C :: 175.703(D) CA :: 60.187(D) CB :: 41.902(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 :: 8.896(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 :: 128.136(D) Ave N Shift Values>> N :: 121.6(4.72) 1.G162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 173.647(D) CA :: 46.248(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.250(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.089(D) Ave N Shift Values>> N :: 109.91(4.29) 1.G163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 172.631(D) CA :: 45.621(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.462(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 118.683(D) Ave N Shift Values>> N :: 109.91(4.29) 1.F164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.46 D 0.18 C 0.16 Y 0.07 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 173.878(D) CA :: 52.913(D) CB :: 38.748(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 :: 7.027(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 :: 115.558(D) Ave N Shift Values>> N :: 120.69(4.18) 1.P165 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.46 P 0.39 I 0.07 C 0.05 W 0.01 C Shift Assignments>> C :: 174.888(D) CA :: 65.287(D) CB :: 31.645(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) 1.Y166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.21 Y 0.19 C 0.15 L 0.12 D 0.11 K 0.1 I 0.04 N 0.02 R 0.01 HN Overlap>> 1.K75 1.K75 C Shift Assignments>> C :: 173.162(D) CA :: 57.047(D) CB :: 40.483(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 :: 7.263(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 :: 115.558(D) Ave N Shift Values>> N :: 120.79(4.69) 1.G167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.3 L 0.26 G 0.2 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 171.938(D) CA :: 43.895(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.859(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.761(D) Ave N Shift Values>> N :: 109.91(4.29) 1.K168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.29 M 0.25 K 0.17 E 0.12 H 0.03 W 0.02 R 0.02 Y 0.02 N 0.02 V 0.01 HN Overlap>> 1.T94 1.T94 C Shift Assignments>> C :: 174.918(D) CA :: 54.938(D) CB :: 34.570(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 :: 7.819(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 :: 119.028(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 R 0.21 D 0.14 C 0.11 K 0.07 G 0.05 F 0.04 Y 0.02 N 0.01 HN Overlap>> 1.M121 1.M121 C Shift Assignments>> C :: 174.848(D) CA :: 54.185(D) CB :: 43.164(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 :: 8.543(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 :: 125.480(D) Ave N Shift Values>> N :: 121.98(4.07) 1.K170 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 C 0.21 K 0.2 R 0.09 H 0.09 W 0.07 E 0.05 V 0.01 C Shift Assignments>> C :: 174.294(D) CA :: 55.325(D) CB :: 32.914(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 :: 8.386(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 :: 127.120(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.22 C 0.17 I 0.12 K 0.08 L 0.05 D 0.02 R 0.01 C Shift Assignments>> C :: 173.832(D) CA :: 59.053(D) CB :: 40.562(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 :: 8.103(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 :: 123.370(D) Ave N Shift Values>> N :: 121.6(4.72) 1.N172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.47 C 0.32 M 0.05 Y 0.03 E 0.03 D 0.02 F 0.01 K 0.01 C Shift Assignments>> C :: 175.219(D) CA :: 51.402(D) CB :: 36.541(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 :: 9.854(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 :: 126.964(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K173 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.13 V 0.13 K 0.12 R 0.1 M 0.09 E 0.09 H 0.07 I 0.02 P 0.01 C Shift Assignments>> C :: 177.297(D) CA :: 59.286(D) CB :: 32.047(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 :: 8.111(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 :: 124.151(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.16 K 0.16 C 0.13 W 0.13 H 0.11 E 0.11 I 0.08 L 0.06 M 0.01 C Shift Assignments>> C :: 176.973(D) CA :: 57.919(D) CB :: 28.104(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 :: 8.315(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 :: 116.652(D) Ave N Shift Values>> N :: 120.68(3.68) 1.K175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 C 0.22 K 0.2 H 0.09 R 0.08 W 0.07 E 0.04 V 0.01 HN Overlap>> 1.N131 1.N131 C Shift Assignments>> C :: 174.987(D) CA :: 54.994(D) CB :: 32.993(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 :: 7.208(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 :: 116.027(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.39 C 0.22 P 0.13 W 0.05 K 0.05 M 0.03 R 0.02 I 0.02 E 0.01 H 0.01 C Shift Assignments>> C :: 175.218(D) CA :: 61.378(D) CB :: 33.353(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 :: 7.019(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 :: 120.480(D) Ave N Shift Values>> N :: 121.02(4.96) 1.F177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.25 C 0.24 F 0.17 E 0.13 I 0.12 M 0.01 D 0.01 N 0.01 C Shift Assignments>> C :: 177.966(D) CA :: 58.017(D) CB :: 37.881(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 :: 8.723(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 :: 126.808(D) Ave N Shift Values>> N :: 120.69(4.18) 1.G178 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.35 L 0.23 R 0.22 C 0.1 F 0.02 D 0.02 Y 0.01 HN Overlap>> 1.G189 1.G189 C Shift Assignments>> C :: 170.091(D) CA :: 44.274(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.315(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.746(D) Ave N Shift Values>> N :: 109.91(4.29) 1.D179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.28 D 0.21 R 0.15 C 0.11 K 0.09 F 0.04 N 0.03 G 0.03 Y 0.03 C Shift Assignments>> C :: 174.779(D) CA :: 53.363(D) CB :: 42.683(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 :: 8.017(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 :: 118.605(D) Ave N Shift Values>> N :: 120.73(4.2) 1.I180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.28 F 0.26 Y 0.22 C 0.17 K 0.01 L 0.01 HN Overlap>> 1.E132 1.E132 C Shift Assignments>> C :: 175.264(D) CA :: 60.523(D) CB :: 40.002(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 :: 8.359(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 :: 124.622(D) Ave N Shift Values>> N :: 121.6(4.72) 1.K181 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.33 M 0.17 E 0.16 N 0.12 K 0.08 Y 0.04 F 0.01 H 0.01 C Shift Assignments>> C :: 174.456(D) CA :: 53.965(D) CB :: 35.595(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 :: 8.771(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 :: 128.058(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E182 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 K 0.16 W 0.14 C 0.13 R 0.13 E 0.13 M 0.05 L 0.02 I 0.01 C Shift Assignments>> C :: 176.003(D) CA :: 55.558(D) CB :: 29.366(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 :: 8.244(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 :: 122.433(D) Ave N Shift Values>> N :: 120.68(3.68) 1.I183 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.21 K 0.19 Y 0.15 C 0.15 R 0.09 L 0.09 I 0.07 D 0.02 C Shift Assignments>> C :: 173.070(D) CA :: 59.053(D) CB :: 41.666(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 :: 9.085(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 :: 125.011(D) Ave N Shift Values>> N :: 121.6(4.72) 1.S184 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.93 T 0.05 C Shift Assignments>> C :: 174.363(D) CA :: 55.107(D) CB :: 66.265(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.883(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 :: 117.120(D) Ave N Shift Values>> N :: 116.3(3.95) 1.I185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 F 0.26 C 0.19 I 0.18 E 0.02 L 0.02 D 0.01 C Shift Assignments>> C :: 174.708(D) CA :: 59.044(D) CB :: 39.221(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 :: 8.378(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 :: 115.011(D) Ave N Shift Values>> N :: 121.6(4.72) 1.Y186 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 Y 0.19 C 0.15 K 0.13 L 0.1 D 0.06 I 0.06 R 0.02 C Shift Assignments>> C :: 174.109(D) CA :: 57.932(D) CB :: 40.778(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 :: 7.772(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 :: 119.246(D) Ave N Shift Values>> N :: 120.79(4.69) 1.N187 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.38 C 0.23 Y 0.1 D 0.07 E 0.07 F 0.06 M 0.03 L 0.01 C Shift Assignments>> C :: 173.994(D) CA :: 53.797(D) CB :: 37.566(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 :: 7.255(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 :: 121.730(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K188 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.32 M 0.24 K 0.14 E 0.11 N 0.04 H 0.02 Y 0.02 W 0.02 R 0.01 C Shift Assignments>> C :: 175.583(D) CA :: 54.038(D) CB :: 34.806(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 :: 6.453(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 :: 116.803(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G189 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 C 0.11 L 0.05 HN Overlap>> 1.G178 1.G178 C Shift Assignments>> C :: 172.377(D) CA :: 46.220(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.352(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.776(D) Ave N Shift Values>> N :: 109.91(4.29) 1.L190 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 0.01 C Shift Assignments>> C :: 176.812(D) CA :: 52.762(D) CB :: 45.600(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 :: 7.867(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 :: 123.214(D) Ave N Shift Values>> N :: 121.98(4.07) 1.M191 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 H 0.2 R 0.14 M 0.11 W 0.11 K 0.06 E 0.06 P 0.04 C Shift Assignments>> C :: 179.606(D) CA :: 52.529(D) CB :: 30.350(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 :: 9.752(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 :: 120.558(D) Ave N Shift Values>> N :: 120.1(3.88) 1.A192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.56 A 0.35 I 0.03 C 0.03 C Shift Assignments>> C :: 179.167(D) CA :: 55.172(D) CB :: 18.091(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.607(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.392(D) Ave N Shift Values>> N :: 123.23(3.7) 1.W193 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.43 P 0.17 C 0.14 R 0.09 W 0.04 K 0.04 L 0.02 H 0.01 E 0.01 C Shift Assignments>> C :: 176.996(D) CA :: 61.181(D) CB :: 26.370(D) Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 6.344(D) Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 110.402(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T194 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.96 S 0.03 C Shift Assignments>> C :: 176.152(D) CA :: 64.292(D) CB :: 66.665(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 :: 6.399(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 :: 126.503(D) Ave N Shift Values>> N :: 115.7(5.05) 1.V195 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.69 P 0.13 I 0.12 C 0.04 C Shift Assignments>> C :: 177.782(D) CA :: 67.464(D) CB :: 31.179(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 :: 7.365(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 :: 121.600(D) Ave N Shift Values>> N :: 121.02(4.96) 1.C196 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.51 I 0.41 C 0.04 C Shift Assignments>> C :: 176.280(D) CA :: 64.725(D) CB :: 26.449(D) Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.252(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 :: 114.855(D) Ave N Shift Values>> N :: 119.95(4.79) 1.G197 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.72 C 0.2 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 175.771(D) CA :: 47.196(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.299(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.761(D) Ave N Shift Values>> N :: 109.91(4.29) 1.I198 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.68 C 0.13 V 0.13 Y 0.02 F 0.02 HN Overlap>> 1.Y201 1.Y201 C Shift Assignments>> C :: 178.197(D) CA :: 65.807(D) CB :: 36.945(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 :: 8.480(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 :: 124.492(D) Ave N Shift Values>> N :: 121.6(4.72) 1.I199 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.54 C 0.17 G 0.14 F 0.09 Y 0.04 C Shift Assignments>> C :: 177.108(D) CA :: 65.672(D) CB :: 42.074(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 :: 8.111(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 :: 122.511(D) Ave N Shift Values>> N :: 121.6(4.72) 1.C200 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.48 I 0.45 C 0.04 V 0.01 C Shift Assignments>> C :: 177.615(D) CA :: 65.484(D) CB :: 26.442(D) Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.162(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 :: 115.221(D) Ave N Shift Values>> N :: 119.95(4.79) 1.Y201 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.43 C 0.18 Y 0.17 F 0.15 E 0.03 HN Overlap>> 1.K25 1.I198 1.K25 1.I198 C Shift Assignments>> C :: 176.016(D) CA :: 61.423(D) CB :: 38.166(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 :: 8.537(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 :: 124.563(D) Ave N Shift Values>> N :: 120.79(4.69) 1.S202 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.121(D) CA :: 60.723(D) CB :: 62.322(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.158(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 :: 116.652(D) Ave N Shift Values>> N :: 116.3(3.95) 1.L203 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.23 K 0.18 D 0.17 R 0.11 C 0.1 F 0.08 Y 0.06 N 0.02 C Shift Assignments>> C :: 177.953(D) CA :: 55.247(D) CB :: 41.981(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 :: 7.522(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 :: 115.167(D) Ave N Shift Values>> N :: 121.98(4.07) 1.S204 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 171.754(D) CA :: 61.667(D) CB :: 64.871(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.245(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 :: 113.233(D) Ave N Shift Values>> N :: 116.3(3.95) 1.F205 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.2 C 0.16 K 0.13 I 0.09 L 0.07 D 0.03 R 0.02 C Shift Assignments>> C :: 179.888(D) CA :: 58.742(D) CB :: 40.877(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 :: 6.862(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 :: 122.589(D) Ave N Shift Values>> N :: 120.69(4.18) ########################################################################### Overall Results: #Consistent: 1 #Clerical: 196 #Suspicious: 6 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 203 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 205 #Suspicious: 0 C Shift Results: #Consistent: 2 #Duplicate: 595 #Unknown: 0 #Suspicious: 2 #Anomalous: 1 H Shift Results: #Consistent: 0 #Duplicate: 190 #Unknown: 0 #Suspicious: 4 #Anomalous: 1 N Shift Results: #Consistent: 0 #Duplicate: 195 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.T2 C = 169.636(D), Expected = 174.60, Std = 1.8000, ChiSquare = 5.8196e-03 1.T2 CA = 61.566(D), Expected = 62.15, Std = 2.7200, ChiSquare = 8.3000e-01 1.T2 CB = 69.025(D), Expected = 69.64, Std = 1.7000, ChiSquare = 7.1753e-01 1.Y3 C = 174.156(D), Expected = 175.39, Std = 1.8900, ChiSquare = 5.1381e-01 1.Y3 CA = 56.754(D), Expected = 58.02, Std = 2.6400, ChiSquare = 6.3155e-01 1.Y3 CB = 41.587(D), Expected = 39.16, Std = 2.2300, ChiSquare = 2.7644e-01 1.Y3 H = 8.563(D), Expected = 8.37, Std = 0.7500, ChiSquare = 7.9692e-01 1.Y3 N = 121.867(D), Expected = 120.79, Std = 4.6900, ChiSquare = 8.1837e-01 1.N4 C = 173.948(D), Expected = 175.16, Std = 1.7600, ChiSquare = 4.9105e-01 1.N4 CA = 52.126(D), Expected = 53.43, Std = 1.9400, ChiSquare = 5.0148e-01 1.N4 CB = 41.981(D), Expected = 38.66, Std = 1.7800, ChiSquare = 6.2079e-02 1.N4 H = 9.654(D), Expected = 8.37, Std = 0.6500, ChiSquare = 4.8225e-02 1.N4 N = 119.237(D), Expected = 119.13, Std = 4.4200, ChiSquare = 9.8069e-01 1.I5 C = 172.470(D), Expected = 175.82, Std = 1.9500, ChiSquare = 8.5806e-02 1.I5 CA = 60.036(D), Expected = 61.59, Std = 2.7800, ChiSquare = 5.7617e-01 1.I5 CB = 40.562(D), Expected = 38.58, Std = 2.0900, ChiSquare = 3.4296e-01 1.I5 H = 9.360(D), Expected = 8.26, Std = 0.7100, ChiSquare = 1.2131e-01 1.I5 N = 124.542(D), Expected = 121.60, Std = 4.7200, ChiSquare = 5.3308e-01 1.I6 C = 175.310(D), Expected = 175.82, Std = 1.9500, ChiSquare = 7.9368e-01 1.I6 CA = 59.234(D), Expected = 61.59, Std = 2.7800, ChiSquare = 3.9673e-01 1.I6 CB = 41.114(D), Expected = 38.58, Std = 2.0900, ChiSquare = 2.2534e-01 1.I6 H = 8.873(D), Expected = 8.26, Std = 0.7100, ChiSquare = 3.8793e-01 1.I6 N = 126.261(D), Expected = 121.60, Std = 4.7200, ChiSquare = 3.2340e-01 1.L7 C = 175.757(D), Expected = 176.97, Std = 2.0900, ChiSquare = 5.6166e-01 1.L7 CA = 53.287(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.8497e-01 1.L7 CB = 42.139(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.0116e-01 1.L7 H = 8.299(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.0326e-01 1.L7 N = 129.698(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.7919e-02 1.A8 C = 176.119(D), Expected = 177.80, Std = 2.1800, ChiSquare = 4.4065e-01 1.A8 CA = 50.996(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.9350e-01 1.A8 CB = 25.108(S), Expected = 18.90, Std = 1.8500, ChiSquare = 7.9171e-04 1.A8 H = 8.990(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.8795e-01 1.A8 N = 127.980(D), Expected = 123.23, Std = 3.7000, ChiSquare = 1.9922e-01 1.K9 C = 175.772(D), Expected = 176.46, Std = 2.0500, ChiSquare = 7.3716e-01 1.K9 CA = 55.037(D), Expected = 56.84, Std = 2.2500, ChiSquare = 4.2294e-01 1.K9 CB = 30.785(D), Expected = 32.83, Std = 1.8800, ChiSquare = 2.7670e-01 1.K9 H = 11.417(S), Expected = 8.22, Std = 0.6400, ChiSquare = 5.8741e-07 1.K9 N = 125.948(D), Expected = 121.16, Std = 4.1100, ChiSquare = 2.4403e-01 1.S10 C = 177.643(D), Expected = 174.53, Std = 1.7300, ChiSquare = 7.1952e-02 1.S10 CA = 60.985(D), Expected = 58.57, Std = 2.1200, ChiSquare = 2.5464e-01 1.S10 CB = 63.663(D), Expected = 63.80, Std = 1.5700, ChiSquare = 9.3046e-01 1.S10 H = 9.917(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.6854e-03 1.S10 N = 109.699(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.4694e-02 1.A11 C = 177.320(D), Expected = 177.80, Std = 2.1800, ChiSquare = 8.2573e-01 1.A11 CA = 51.941(D), Expected = 53.16, Std = 2.0600, ChiSquare = 5.5402e-01 1.A11 CB = 18.328(D), Expected = 18.90, Std = 1.8500, ChiSquare = 7.5718e-01 1.A11 H = 8.417(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.1760e-01 1.A11 N = 130.401(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.2610e-02 1.L12 C = 172.394(D), Expected = 176.97, Std = 2.0900, ChiSquare = 2.8562e-02 1.L12 CA = 52.969(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.2508e-01 1.L12 CB = 44.977(D), Expected = 42.37, Std = 1.8600, ChiSquare = 1.6103e-01 1.L12 H = 8.624(D), Expected = 8.22, Std = 0.6500, ChiSquare = 5.3425e-01 1.L12 N = 126.536(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.6297e-01 1.E13 Typing: Suspicious 1.E13 C = 175.564(D), Expected = 176.93, Std = 2.1100, ChiSquare = 5.1738e-01 1.E13 CA = 54.910(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.5175e-01 1.E13 CB = 36.541(S), Expected = 30.07, Std = 1.8400, ChiSquare = 4.3670e-04 1.E13 H = 9.077(D), Expected = 8.34, Std = 0.6100, ChiSquare = 2.2697e-01 1.E13 N = 123.214(D), Expected = 120.68, Std = 3.6800, ChiSquare = 4.9108e-01 1.L14 C = 177.643(D), Expected = 176.97, Std = 2.0900, ChiSquare = 7.4745e-01 1.L14 CA = 54.082(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.7801e-01 1.L14 CB = 41.508(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.4305e-01 1.L14 H = 8.464(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.0737e-01 1.L14 N = 121.183(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.4475e-01 1.I15 C = 174.387(D), Expected = 175.82, Std = 1.9500, ChiSquare = 4.6242e-01 1.I15 CA = 60.658(D), Expected = 61.59, Std = 2.7800, ChiSquare = 7.3743e-01 1.I15 CB = 38.354(D), Expected = 38.58, Std = 2.0900, ChiSquare = 9.1389e-01 1.I15 H = 7.772(D), Expected = 8.26, Std = 0.7100, ChiSquare = 4.9188e-01 1.I15 N = 120.710(D), Expected = 121.60, Std = 4.7200, ChiSquare = 8.5044e-01 1.P16 C = 177.179(D), Expected = 176.70, Std = 1.6900, ChiSquare = 7.7685e-01 1.P16 CA = 62.884(D), Expected = 63.30, Std = 1.6400, ChiSquare = 7.9976e-01 1.P16 CB = 32.591(D), Expected = 31.81, Std = 1.5400, ChiSquare = 6.1205e-01 1.E17 C = 178.313(D), Expected = 176.93, Std = 2.1100, ChiSquare = 5.1218e-01 1.E17 CA = 59.389(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.6861e-01 1.E17 CB = 28.893(D), Expected = 30.07, Std = 1.8400, ChiSquare = 5.2238e-01 1.E17 H = 8.703(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.5179e-01 1.E17 N = 124.583(D), Expected = 120.68, Std = 3.6800, ChiSquare = 2.8887e-01 1.E18 C = 177.089(D), Expected = 176.93, Std = 2.1100, ChiSquare = 9.3993e-01 1.E18 CA = 58.650(D), Expected = 57.42, Std = 2.1900, ChiSquare = 5.7436e-01 1.E18 CB = 29.043(D), Expected = 30.07, Std = 1.8400, ChiSquare = 5.7674e-01 1.E18 H = 9.383(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.7296e-02 1.E18 N = 115.089(D), Expected = 120.68, Std = 3.6800, ChiSquare = 1.2869e-01 1.I19 C = 176.211(D), Expected = 175.82, Std = 1.9500, ChiSquare = 8.4108e-01 1.I19 CA = 60.422(D), Expected = 61.59, Std = 2.7800, ChiSquare = 6.7438e-01 1.I19 CB = 38.433(D), Expected = 38.58, Std = 2.0900, ChiSquare = 9.4393e-01 1.I19 H = 7.310(D), Expected = 8.26, Std = 0.7100, ChiSquare = 1.8089e-01 1.I19 N = 109.230(D), Expected = 121.60, Std = 4.7200, ChiSquare = 8.7733e-03 1.K20 C = 177.389(D), Expected = 176.46, Std = 2.0500, ChiSquare = 6.5043e-01 1.K20 CA = 60.036(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.5548e-01 1.K20 CB = 32.204(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.3915e-01 1.K20 H = 7.349(D), Expected = 8.22, Std = 0.6400, ChiSquare = 1.7353e-01 1.K20 N = 123.527(D), Expected = 121.16, Std = 4.1100, ChiSquare = 5.6467e-01 1.N21 C = 175.634(D), Expected = 175.16, Std = 1.7600, ChiSquare = 7.8768e-01 1.N21 CA = 53.982(D), Expected = 53.43, Std = 1.9400, ChiSquare = 7.7600e-01 1.N21 CB = 37.093(D), Expected = 38.66, Std = 1.7800, ChiSquare = 3.7868e-01 1.N21 H = 8.409(D), Expected = 8.37, Std = 0.6500, ChiSquare = 9.5216e-01 1.N21 N = 114.074(D), Expected = 119.13, Std = 4.4200, ChiSquare = 2.5267e-01 1.K22 C = 175.888(D), Expected = 176.46, Std = 2.0500, ChiSquare = 7.8023e-01 1.K22 CA = 55.475(D), Expected = 56.84, Std = 2.2500, ChiSquare = 5.4407e-01 1.K22 CB = 33.308(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.9930e-01 1.K22 H = 7.710(D), Expected = 8.22, Std = 0.6400, ChiSquare = 4.2552e-01 1.K22 N = 117.738(D), Expected = 121.16, Std = 4.1100, ChiSquare = 4.0507e-01 1.I23 C = 175.195(D), Expected = 175.82, Std = 1.9500, ChiSquare = 7.4858e-01 1.I23 CA = 60.113(D), Expected = 61.59, Std = 2.7800, ChiSquare = 5.9521e-01 1.I23 CB = 38.512(D), Expected = 38.58, Std = 2.0900, ChiSquare = 9.7404e-01 1.I23 H = 7.035(D), Expected = 8.26, Std = 0.7100, ChiSquare = 8.4464e-02 1.I23 N = 119.855(D), Expected = 121.60, Std = 4.7200, ChiSquare = 7.1160e-01 1.R24 C = 176.096(D), Expected = 176.49, Std = 2.1600, ChiSquare = 8.5526e-01 1.R24 CA = 54.459(D), Expected = 56.95, Std = 2.4100, ChiSquare = 3.0132e-01 1.R24 CB = 30.785(D), Expected = 30.66, Std = 1.7700, ChiSquare = 9.4370e-01 1.R24 H = 8.496(D), Expected = 8.24, Std = 0.6000, ChiSquare = 6.6962e-01 1.R24 N = 127.589(D), Expected = 120.61, Std = 3.9000, ChiSquare = 7.3537e-02 1.K25 C = 175.934(D), Expected = 176.46, Std = 2.0500, ChiSquare = 7.9750e-01 1.K25 CA = 57.189(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.7673e-01 1.K25 CB = 32.598(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.0179e-01 1.K25 H = 8.480(D), Expected = 8.22, Std = 0.6400, ChiSquare = 6.8456e-01 1.K25 N = 124.620(D), Expected = 121.16, Std = 4.1100, ChiSquare = 3.9987e-01 1.S26 C = 174.548(D), Expected = 174.53, Std = 1.7300, ChiSquare = 9.9170e-01 1.S26 CA = 56.119(D), Expected = 58.57, Std = 2.1200, ChiSquare = 2.4763e-01 1.S26 CB = 65.398(D), Expected = 63.80, Std = 1.5700, ChiSquare = 3.0876e-01 1.S26 H = 8.244(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.4086e-01 1.S26 N = 117.667(D), Expected = 116.30, Std = 3.9500, ChiSquare = 7.2929e-01 1.R27 C = 176.327(D), Expected = 176.49, Std = 2.1600, ChiSquare = 9.3985e-01 1.R27 CA = 57.441(D), Expected = 56.95, Std = 2.4100, ChiSquare = 8.3856e-01 1.R27 CB = 30.075(D), Expected = 30.66, Std = 1.7700, ChiSquare = 7.4102e-01 1.R27 H = 8.601(D), Expected = 8.24, Std = 0.6000, ChiSquare = 5.4740e-01 1.R27 N = 122.035(D), Expected = 120.61, Std = 3.9000, ChiSquare = 7.1482e-01 1.V28 C = 174.363(D), Expected = 175.69, Std = 2.0300, ChiSquare = 5.1331e-01 1.V28 CA = 63.094(D), Expected = 62.48, Std = 3.0400, ChiSquare = 8.3994e-01 1.V28 CB = 32.835(D), Expected = 32.66, Std = 1.9100, ChiSquare = 9.2700e-01 1.V28 H = 7.671(D), Expected = 8.29, Std = 0.7100, ChiSquare = 3.8330e-01 1.V28 N = 114.386(D), Expected = 121.02, Std = 4.9600, ChiSquare = 1.8106e-01 1.Y29 C = 174.248(D), Expected = 175.39, Std = 1.8900, ChiSquare = 5.4569e-01 1.Y29 CA = 58.276(D), Expected = 58.02, Std = 2.6400, ChiSquare = 9.2275e-01 1.Y29 CB = 38.827(D), Expected = 39.16, Std = 2.2300, ChiSquare = 8.8130e-01 1.Y29 H = 7.420(D), Expected = 8.37, Std = 0.7500, ChiSquare = 2.0527e-01 1.Y29 N = 121.183(D), Expected = 120.79, Std = 4.6900, ChiSquare = 9.3322e-01 1.K30 C = 174.528(D), Expected = 176.46, Std = 2.0500, ChiSquare = 3.4597e-01 1.K30 CA = 54.884(D), Expected = 56.84, Std = 2.2500, ChiSquare = 3.8467e-01 1.K30 CB = 31.573(D), Expected = 32.83, Std = 1.8800, ChiSquare = 5.0374e-01 1.K30 H = 6.980(D), Expected = 8.22, Std = 0.6400, ChiSquare = 5.2684e-02 1.K30 N = 125.636(D), Expected = 121.16, Std = 4.1100, ChiSquare = 2.7613e-01 1.Y31 C = 174.498(D), Expected = 175.39, Std = 1.8900, ChiSquare = 6.3696e-01 1.Y31 CA = 57.329(D), Expected = 58.02, Std = 2.6400, ChiSquare = 7.9352e-01 1.Y31 CB = 39.616(D), Expected = 39.16, Std = 2.2300, ChiSquare = 8.3798e-01 1.Y31 H = 5.598(A), Expected = 8.37, Std = 0.7500, ChiSquare = 2.1902e-04 1.Y31 N = 117.120(D), Expected = 120.79, Std = 4.6900, ChiSquare = 4.3391e-01 1.D32 C = 174.820(D), Expected = 176.41, Std = 1.7700, ChiSquare = 3.6902e-01 1.D32 CA = 53.030(D), Expected = 54.52, Std = 2.1000, ChiSquare = 4.7800e-01 1.D32 CB = 40.404(D), Expected = 40.70, Std = 1.6700, ChiSquare = 8.5932e-01 1.D32 H = 9.509(D), Expected = 8.33, Std = 0.5700, ChiSquare = 3.8600e-02 1.D32 N = 121.027(D), Expected = 120.73, Std = 4.2000, ChiSquare = 9.4363e-01 1.I33 C = 176.234(D), Expected = 175.82, Std = 1.9500, ChiSquare = 8.3187e-01 1.I33 CA = 58.285(D), Expected = 61.59, Std = 2.7800, ChiSquare = 2.3450e-01 1.I33 CB = 38.669(D), Expected = 38.58, Std = 2.0900, ChiSquare = 9.6603e-01 1.I33 H = 6.478(D), Expected = 8.26, Std = 0.7100, ChiSquare = 1.2078e-02 1.I33 N = 117.252(D), Expected = 121.60, Std = 4.7200, ChiSquare = 3.5695e-01 1.L34 C = 175.342(D), Expected = 176.97, Std = 2.0900, ChiSquare = 4.3601e-01 1.L34 CA = 55.071(D), Expected = 55.65, Std = 2.2100, ChiSquare = 7.9333e-01 1.L34 CB = 42.927(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.6459e-01 1.L34 H = 8.558(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.0306e-01 1.L34 N = 131.104(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.4976e-02 1.D35 C = 177.695(D), Expected = 176.41, Std = 1.7700, ChiSquare = 4.6785e-01 1.D35 CA = 53.455(D), Expected = 54.52, Std = 2.1000, ChiSquare = 6.1205e-01 1.D35 CB = 43.042(D), Expected = 40.70, Std = 1.6700, ChiSquare = 1.6080e-01 1.D35 H = 10.949(S), Expected = 8.33, Std = 0.5700, ChiSquare = 4.3330e-06 1.D35 N = 132.787(D), Expected = 120.73, Std = 4.2000, ChiSquare = 4.0955e-03 1.S36 C = 174.978(D), Expected = 174.53, Std = 1.7300, ChiSquare = 7.9567e-01 1.S36 CA = 61.667(D), Expected = 58.57, Std = 2.1200, ChiSquare = 1.4406e-01 1.S36 CB = 63.821(D), Expected = 63.80, Std = 1.5700, ChiSquare = 9.8933e-01 1.S36 H = 10.451(S), Expected = 8.29, Std = 0.6200, ChiSquare = 4.9125e-04 1.S36 N = 125.167(D), Expected = 116.30, Std = 3.9500, ChiSquare = 2.4780e-02 1.N37 C = 175.357(D), Expected = 175.16, Std = 1.7600, ChiSquare = 9.1088e-01 1.N37 CA = 56.401(D), Expected = 53.43, Std = 1.9400, ChiSquare = 1.2566e-01 1.N37 CB = 38.748(D), Expected = 38.66, Std = 1.7800, ChiSquare = 9.6057e-01 1.N37 H = 9.226(D), Expected = 8.37, Std = 0.6500, ChiSquare = 1.8786e-01 1.N37 N = 119.855(D), Expected = 119.13, Std = 4.4200, ChiSquare = 8.6971e-01 1.Y38 C = 177.643(D), Expected = 175.39, Std = 1.8900, ChiSquare = 2.3324e-01 1.Y38 CA = 58.605(D), Expected = 58.02, Std = 2.6400, ChiSquare = 8.2463e-01 1.Y38 CB = 39.537(D), Expected = 39.16, Std = 2.2300, ChiSquare = 8.6575e-01 1.Y38 H = 7.442(D), Expected = 8.37, Std = 0.7500, ChiSquare = 2.1596e-01 1.Y38 N = 114.824(D), Expected = 120.79, Std = 4.6900, ChiSquare = 2.0335e-01 1.H39 C = 175.865(D), Expected = 175.19, Std = 2.1400, ChiSquare = 7.5244e-01 1.H39 CA = 54.938(D), Expected = 56.37, Std = 2.4000, ChiSquare = 5.5073e-01 1.H39 CB = 33.072(D), Expected = 29.95, Std = 2.1500, ChiSquare = 1.4648e-01 1.H39 H = 8.417(D), Expected = 8.25, Std = 0.7400, ChiSquare = 8.2145e-01 1.H39 N = 118.448(D), Expected = 119.44, Std = 4.5200, ChiSquare = 8.2628e-01 1.Y40 C = 177.584(D), Expected = 175.39, Std = 1.8900, ChiSquare = 2.4570e-01 1.Y40 CA = 61.911(D), Expected = 58.02, Std = 2.6400, ChiSquare = 1.4052e-01 1.Y40 CB = 36.777(D), Expected = 39.16, Std = 2.2300, ChiSquare = 2.8525e-01 1.Y40 H = 7.527(D), Expected = 8.37, Std = 0.7500, ChiSquare = 2.6101e-01 1.Y40 N = 119.381(D), Expected = 120.79, Std = 4.6900, ChiSquare = 7.6385e-01 1.K41 C = 178.675(D), Expected = 176.46, Std = 2.0500, ChiSquare = 2.7993e-01 1.K41 CA = 58.735(D), Expected = 56.84, Std = 2.2500, ChiSquare = 3.9966e-01 1.K41 CB = 31.219(D), Expected = 32.83, Std = 1.8800, ChiSquare = 3.9149e-01 1.K41 H = 8.079(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.2563e-01 1.K41 N = 120.011(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.7981e-01 1.A42 C = 177.712(D), Expected = 177.80, Std = 2.1800, ChiSquare = 9.6780e-01 1.A42 CA = 53.305(D), Expected = 53.16, Std = 2.0600, ChiSquare = 9.4388e-01 1.A42 CB = 19.589(D), Expected = 18.90, Std = 1.8500, ChiSquare = 7.0957e-01 1.A42 H = 7.537(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.6916e-01 1.A42 N = 120.870(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.2358e-01 1.M43 C = 175.495(D), Expected = 176.30, Std = 2.1300, ChiSquare = 7.0548e-01 1.M43 CA = 56.344(D), Expected = 56.16, Std = 2.3400, ChiSquare = 9.3733e-01 1.M43 CB = 33.860(D), Expected = 32.90, Std = 2.2300, ChiSquare = 6.6684e-01 1.M43 H = 7.530(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.2373e-01 1.M43 N = 113.605(D), Expected = 120.10, Std = 3.8800, ChiSquare = 9.4137e-02 1.E44 C = 176.604(D), Expected = 176.93, Std = 2.1100, ChiSquare = 8.7721e-01 1.E44 CA = 59.832(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.7074e-01 1.E44 CB = 29.760(D), Expected = 30.07, Std = 1.8400, ChiSquare = 8.6621e-01 1.E44 H = 6.933(D), Expected = 8.34, Std = 0.6100, ChiSquare = 2.1080e-02 1.E44 N = 117.042(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.2287e-01 1.K45 C = 176.026(D), Expected = 176.46, Std = 2.0500, ChiSquare = 8.3234e-01 1.K45 CA = 54.319(D), Expected = 56.84, Std = 2.2500, ChiSquare = 2.6252e-01 1.K45 CB = 31.495(D), Expected = 32.83, Std = 1.8800, ChiSquare = 4.7764e-01 1.K45 H = 8.009(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.4164e-01 1.K45 N = 115.089(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.3964e-01 1.L46 C = 176.673(D), Expected = 176.97, Std = 2.0900, ChiSquare = 8.8700e-01 1.L46 CA = 54.211(D), Expected = 55.65, Std = 2.2100, ChiSquare = 5.1496e-01 1.L46 CB = 43.321(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.0915e-01 1.L46 H = 7.561(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.1066e-01 1.L46 N = 122.745(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.5091e-01 1.K47 C = 175.795(D), Expected = 176.46, Std = 2.0500, ChiSquare = 7.4564e-01 1.K47 CA = 56.880(D), Expected = 56.84, Std = 2.2500, ChiSquare = 9.8582e-01 1.K47 CB = 32.125(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.0766e-01 1.K47 H = 8.456(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.1231e-01 1.K47 N = 128.058(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.3280e-02 1.D48 C = 177.204(D), Expected = 176.41, Std = 1.7700, ChiSquare = 6.5373e-01 1.D48 CA = 55.332(D), Expected = 54.52, Std = 2.1000, ChiSquare = 6.9900e-01 1.D48 CB = 38.512(D), Expected = 40.70, Std = 1.6700, ChiSquare = 1.9013e-01 1.D48 H = 8.876(D), Expected = 8.33, Std = 0.5700, ChiSquare = 3.3812e-01 1.D48 N = 119.362(D), Expected = 120.73, Std = 4.2000, ChiSquare = 7.4464e-01 1.K49 C = 176.696(D), Expected = 176.46, Std = 2.0500, ChiSquare = 9.0835e-01 1.K49 CA = 60.169(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.3899e-01 1.K49 CB = 31.731(D), Expected = 32.83, Std = 1.8800, ChiSquare = 5.5883e-01 1.K49 H = 7.113(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.3686e-02 1.K49 N = 115.011(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.3463e-01 1.E50 C = 176.601(D), Expected = 176.93, Std = 2.1100, ChiSquare = 8.7609e-01 1.E50 CA = 58.200(D), Expected = 57.42, Std = 2.1900, ChiSquare = 7.2172e-01 1.E50 CB = 28.025(D), Expected = 30.07, Std = 1.8400, ChiSquare = 2.6639e-01 1.E50 H = 8.998(D), Expected = 8.34, Std = 0.6100, ChiSquare = 2.8073e-01 1.E50 N = 117.589(D), Expected = 120.68, Std = 3.6800, ChiSquare = 4.0094e-01 1.M51 C = 174.506(D), Expected = 176.30, Std = 2.1300, ChiSquare = 3.9965e-01 1.M51 CA = 55.501(D), Expected = 56.16, Std = 2.3400, ChiSquare = 7.7823e-01 1.M51 CB = 34.964(D), Expected = 32.90, Std = 2.2300, ChiSquare = 3.5467e-01 1.M51 H = 7.852(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.9650e-01 1.M51 N = 115.480(D), Expected = 120.10, Std = 3.8800, ChiSquare = 2.3376e-01 1.R52 C = 176.373(D), Expected = 176.49, Std = 2.1600, ChiSquare = 9.5680e-01 1.R52 CA = 55.273(D), Expected = 56.95, Std = 2.4100, ChiSquare = 4.8652e-01 1.R52 CB = 35.902(D), Expected = 30.66, Std = 1.7700, ChiSquare = 3.0606e-03 1.R52 H = 6.893(D), Expected = 8.24, Std = 0.6000, ChiSquare = 2.4768e-02 1.R52 N = 115.963(D), Expected = 120.61, Std = 3.9000, ChiSquare = 2.3344e-01 1.G53 C = 174.702(D), Expected = 174.04, Std = 1.9400, ChiSquare = 7.3292e-01 1.G53 CA = 46.585(D), Expected = 45.33, Std = 1.4200, ChiSquare = 3.7680e-01 1.G53 H = 10.508(D), Expected = 8.34, Std = 0.7400, ChiSquare = 3.3926e-03 1.G53 N = 106.662(D), Expected = 109.91, Std = 4.2900, ChiSquare = 4.4898e-01 1.R54 C = 172.536(D), Expected = 176.49, Std = 2.1600, ChiSquare = 6.7167e-02 1.R54 CA = 51.521(D), Expected = 56.95, Std = 2.4100, ChiSquare = 2.4278e-02 1.R54 CB = 30.312(D), Expected = 30.66, Std = 1.7700, ChiSquare = 8.4413e-01 1.R54 H = 7.498(D), Expected = 8.24, Std = 0.6000, ChiSquare = 2.1621e-01 1.R54 N = 116.730(D), Expected = 120.61, Std = 3.9000, ChiSquare = 3.1980e-01 1.P55 C = 177.874(D), Expected = 176.70, Std = 1.6900, ChiSquare = 4.8726e-01 1.P55 CA = 64.898(D), Expected = 63.30, Std = 1.6400, ChiSquare = 3.2986e-01 1.P55 CB = 31.566(D), Expected = 31.81, Std = 1.5400, ChiSquare = 8.7411e-01 1.D56 C = 177.343(D), Expected = 176.41, Std = 1.7700, ChiSquare = 5.9811e-01 1.D56 CA = 56.350(D), Expected = 54.52, Std = 2.1000, ChiSquare = 3.8352e-01 1.D56 CB = 38.354(D), Expected = 40.70, Std = 1.6700, ChiSquare = 1.6008e-01 1.D56 H = 9.044(D), Expected = 8.33, Std = 0.5700, ChiSquare = 2.1034e-01 1.D56 N = 117.882(D), Expected = 120.73, Std = 4.2000, ChiSquare = 4.9771e-01 1.I57 C = 178.267(D), Expected = 175.82, Std = 1.9500, ChiSquare = 2.0953e-01 1.I57 CA = 65.091(D), Expected = 61.59, Std = 2.7800, ChiSquare = 2.0790e-01 1.I57 CB = 38.084(D), Expected = 38.58, Std = 2.0900, ChiSquare = 8.1241e-01 1.I57 H = 7.565(D), Expected = 8.26, Std = 0.7100, ChiSquare = 3.2764e-01 1.I57 N = 119.513(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.5837e-01 1.I58 C = 175.911(D), Expected = 175.82, Std = 1.9500, ChiSquare = 9.6278e-01 1.I58 CA = 62.672(D), Expected = 61.59, Std = 2.7800, ChiSquare = 6.9712e-01 1.I58 CB = 35.316(D), Expected = 38.58, Std = 2.0900, ChiSquare = 1.1835e-01 1.I58 H = 7.239(D), Expected = 8.26, Std = 0.7100, ChiSquare = 1.5043e-01 1.I58 N = 120.245(D), Expected = 121.60, Std = 4.7200, ChiSquare = 7.7405e-01 1.H59 C = 175.327(D), Expected = 175.19, Std = 2.1400, ChiSquare = 9.4896e-01 1.H59 CA = 59.260(D), Expected = 56.37, Std = 2.4000, ChiSquare = 2.2853e-01 1.H59 CB = 32.591(D), Expected = 29.95, Std = 2.1500, ChiSquare = 2.1931e-01 1.H59 H = 7.875(D), Expected = 8.25, Std = 0.7400, ChiSquare = 6.1233e-01 1.H59 N = 121.127(D), Expected = 119.44, Std = 4.5200, ChiSquare = 7.0898e-01 1.I60 C = 178.336(D), Expected = 175.82, Std = 1.9500, ChiSquare = 1.9696e-01 1.I60 CA = 63.403(D), Expected = 61.59, Std = 2.7800, ChiSquare = 5.1430e-01 1.I60 H = 7.761(D), Expected = 8.26, Std = 0.7100, ChiSquare = 4.8217e-01 1.I60 N = 114.419(D), Expected = 121.60, Std = 4.7200, ChiSquare = 1.2816e-01 1.S61 C = 175.771(D), Expected = 174.53, Std = 1.7300, ChiSquare = 4.7316e-01 1.S61 CA = 64.191(D), Expected = 58.57, Std = 2.1200, ChiSquare = 8.0155e-03 1.S61 H = 7.446(D), Expected = 8.29, Std = 0.6200, ChiSquare = 1.7342e-01 1.S61 N = 114.371(D), Expected = 116.30, Std = 3.9500, ChiSquare = 6.2530e-01 1.L62 C = 178.082(D), Expected = 176.97, Std = 2.0900, ChiSquare = 5.9469e-01 1.L62 CA = 57.525(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.9621e-01 1.L62 CB = 42.060(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.6763e-01 1.L62 H = 8.397(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.8539e-01 1.L62 N = 120.158(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.5439e-01 1.L63 C = 181.084(D), Expected = 176.97, Std = 2.0900, ChiSquare = 4.9020e-02 1.L63 CA = 57.932(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.0180e-01 1.L63 H = 7.774(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.9262e-01 1.L63 N = 119.727(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.7988e-01 1.N64 C = 178.321(D), Expected = 175.16, Std = 1.7600, ChiSquare = 7.2491e-02 1.N64 CA = 54.349(D), Expected = 53.43, Std = 1.9400, ChiSquare = 6.3571e-01 1.N64 CB = 37.408(D), Expected = 38.66, Std = 1.7800, ChiSquare = 4.8182e-01 1.N64 H = 7.388(D), Expected = 8.37, Std = 0.6500, ChiSquare = 1.3085e-01 1.N64 N = 117.891(D), Expected = 119.13, Std = 4.4200, ChiSquare = 7.7923e-01 1.I65 C = 179.625(D), Expected = 175.82, Std = 1.9500, ChiSquare = 5.1024e-02 1.I65 CA = 65.136(D), Expected = 61.59, Std = 2.7800, ChiSquare = 2.0212e-01 1.I65 H = 8.378(D), Expected = 8.26, Std = 0.7100, ChiSquare = 8.6800e-01 1.I65 N = 121.027(D), Expected = 121.60, Std = 4.7200, ChiSquare = 9.0338e-01 1.L66 C = 177.753(D), Expected = 176.97, Std = 2.0900, ChiSquare = 7.0793e-01 1.L66 CA = 56.493(D), Expected = 55.65, Std = 2.2100, ChiSquare = 7.0287e-01 1.L66 CB = 40.771(D), Expected = 42.37, Std = 1.8600, ChiSquare = 3.8997e-01 1.L66 H = 9.093(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.7925e-01 1.L66 N = 117.329(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.5314e-01 1.D67 C = 173.963(D), Expected = 176.41, Std = 1.7700, ChiSquare = 1.6682e-01 1.D67 CA = 52.238(D), Expected = 54.52, Std = 2.1000, ChiSquare = 2.7718e-01 1.D67 CB = 42.375(D), Expected = 40.70, Std = 1.6700, ChiSquare = 3.1586e-01 1.D67 H = 6.792(D), Expected = 8.33, Std = 0.5700, ChiSquare = 6.9706e-03 1.D67 N = 113.187(D), Expected = 120.73, Std = 4.2000, ChiSquare = 7.2502e-02 1.S68 C = 173.808(D), Expected = 174.53, Std = 1.7300, ChiSquare = 6.7643e-01 1.S68 CA = 57.722(D), Expected = 58.57, Std = 2.1200, ChiSquare = 6.8916e-01 1.S68 CB = 62.007(D), Expected = 63.80, Std = 1.5700, ChiSquare = 2.5344e-01 1.S68 H = 7.346(D), Expected = 8.29, Std = 0.6200, ChiSquare = 1.2786e-01 1.S68 N = 113.137(D), Expected = 116.30, Std = 3.9500, ChiSquare = 4.2327e-01 1.P69 C = 177.041(D), Expected = 176.70, Std = 1.6900, ChiSquare = 8.4009e-01 1.P69 CA = 66.951(D), Expected = 63.30, Std = 1.6400, ChiSquare = 2.5999e-02 1.P69 CB = 29.736(D), Expected = 31.81, Std = 1.5400, ChiSquare = 1.7806e-01 1.I70 C = 175.634(D), Expected = 175.82, Std = 1.9500, ChiSquare = 9.2401e-01 1.I70 CA = 61.547(D), Expected = 61.59, Std = 2.7800, ChiSquare = 9.8766e-01 1.I70 CB = 37.345(D), Expected = 38.58, Std = 2.0900, ChiSquare = 5.5458e-01 1.I70 H = 7.654(D), Expected = 8.26, Std = 0.7100, ChiSquare = 3.9337e-01 1.I70 N = 113.010(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.8772e-02 1.N71 C = 180.299(A), Expected = 175.16, Std = 1.7600, ChiSquare = 3.5016e-03 1.N71 CA = 57.090(D), Expected = 53.43, Std = 1.9400, ChiSquare = 5.9215e-02 1.N71 CB = 40.633(D), Expected = 38.66, Std = 1.7800, ChiSquare = 2.6768e-01 1.N71 H = 7.379(D), Expected = 8.37, Std = 0.6500, ChiSquare = 1.2735e-01 1.N71 N = 120.806(D), Expected = 119.13, Std = 4.4200, ChiSquare = 7.0455e-01 1.H72 C = 176.371(D), Expected = 175.19, Std = 2.1400, ChiSquare = 5.8104e-01 1.H72 CA = 59.614(D), Expected = 56.37, Std = 2.4000, ChiSquare = 1.7648e-01 1.H72 CB = 28.097(D), Expected = 29.95, Std = 2.1500, ChiSquare = 3.8876e-01 1.H72 H = 8.196(D), Expected = 8.25, Std = 0.7400, ChiSquare = 9.4183e-01 1.H72 N = 120.091(D), Expected = 119.44, Std = 4.5200, ChiSquare = 8.8548e-01 1.E73 C = 174.848(D), Expected = 176.93, Std = 2.1100, ChiSquare = 3.2378e-01 1.E73 CA = 55.810(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.6224e-01 1.E73 CB = 29.279(D), Expected = 30.07, Std = 1.8400, ChiSquare = 6.6727e-01 1.E73 H = 7.813(D), Expected = 8.34, Std = 0.6100, ChiSquare = 3.8762e-01 1.E73 N = 116.588(D), Expected = 120.68, Std = 3.6800, ChiSquare = 2.6616e-01 1.K74 C = 177.389(D), Expected = 176.46, Std = 2.0500, ChiSquare = 6.5043e-01 1.K74 CA = 56.855(D), Expected = 56.84, Std = 2.2500, ChiSquare = 9.9468e-01 1.K74 CB = 28.025(D), Expected = 32.83, Std = 1.8800, ChiSquare = 1.0593e-02 1.K74 H = 8.010(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.4282e-01 1.K74 N = 114.797(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.2158e-01 1.K75 C = 174.641(D), Expected = 176.46, Std = 2.0500, ChiSquare = 3.7491e-01 1.K75 CA = 55.778(D), Expected = 56.84, Std = 2.2500, ChiSquare = 6.3693e-01 1.K75 CB = 32.914(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.6436e-01 1.K75 H = 7.290(D), Expected = 8.22, Std = 0.6400, ChiSquare = 1.4619e-01 1.K75 N = 115.455(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.6511e-01 1.L76 C = 177.343(D), Expected = 176.97, Std = 2.0900, ChiSquare = 8.5835e-01 1.L76 CA = 53.026(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.3510e-01 1.L76 CB = 45.995(D), Expected = 42.37, Std = 1.8600, ChiSquare = 5.1304e-02 1.L76 H = 8.778(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.9064e-01 1.L76 N = 118.605(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.0697e-01 1.N77 C = 173.384(D), Expected = 175.16, Std = 1.7600, ChiSquare = 3.1293e-01 1.N77 CA = 52.345(D), Expected = 53.43, Std = 1.9400, ChiSquare = 5.7597e-01 1.N77 CB = 40.325(D), Expected = 38.66, Std = 1.7800, ChiSquare = 3.4959e-01 1.N77 H = 9.050(D), Expected = 8.37, Std = 0.6500, ChiSquare = 2.9549e-01 1.N77 N = 121.873(D), Expected = 119.13, Std = 4.4200, ChiSquare = 5.3487e-01 1.I78 C = 173.546(D), Expected = 175.82, Std = 1.9500, ChiSquare = 2.4355e-01 1.I78 CA = 61.465(D), Expected = 61.59, Std = 2.7800, ChiSquare = 9.6414e-01 1.I78 CB = 40.397(D), Expected = 38.58, Std = 2.0900, ChiSquare = 3.8464e-01 1.I78 H = 8.677(D), Expected = 8.26, Std = 0.7100, ChiSquare = 5.5699e-01 1.I78 N = 124.165(D), Expected = 121.60, Std = 4.7200, ChiSquare = 5.8683e-01 1.Y79 C = 174.895(D), Expected = 175.39, Std = 1.8900, ChiSquare = 7.9339e-01 1.Y79 CA = 55.661(D), Expected = 58.02, Std = 2.6400, ChiSquare = 3.7156e-01 1.Y79 CB = 42.296(D), Expected = 39.16, Std = 2.2300, ChiSquare = 1.5964e-01 1.Y79 H = 8.818(D), Expected = 8.37, Std = 0.7500, ChiSquare = 5.5028e-01 1.Y79 N = 123.527(D), Expected = 120.79, Std = 4.6900, ChiSquare = 5.5950e-01 1.I80 C = 174.333(D), Expected = 175.82, Std = 1.9500, ChiSquare = 4.4572e-01 1.I80 CA = 58.923(D), Expected = 61.59, Std = 2.7800, ChiSquare = 3.3738e-01 1.I80 CB = 39.300(D), Expected = 38.58, Std = 2.0900, ChiSquare = 7.3047e-01 1.I80 H = 9.305(D), Expected = 8.26, Std = 0.7100, ChiSquare = 1.4107e-01 1.I80 N = 120.870(D), Expected = 121.60, Std = 4.7200, ChiSquare = 8.7709e-01 1.H81 C = 176.092(D), Expected = 175.19, Std = 2.1400, ChiSquare = 6.7339e-01 1.H81 CA = 55.004(D), Expected = 56.37, Std = 2.4000, ChiSquare = 5.6924e-01 1.H81 CB = 33.702(D), Expected = 29.95, Std = 2.1500, ChiSquare = 8.0965e-02 1.H81 H = 9.741(D), Expected = 8.25, Std = 0.7400, ChiSquare = 4.3919e-02 1.H81 N = 129.350(D), Expected = 119.44, Std = 4.5200, ChiSquare = 2.8345e-02 1.T82 C = 174.859(D), Expected = 174.60, Std = 1.8000, ChiSquare = 8.8559e-01 1.T82 CA = 62.056(D), Expected = 62.15, Std = 2.7200, ChiSquare = 9.7243e-01 1.T82 CB = 71.817(D), Expected = 69.64, Std = 1.7000, ChiSquare = 2.0034e-01 1.T82 H = 9.367(D), Expected = 8.27, Std = 0.6200, ChiSquare = 7.6835e-02 1.T82 N = 121.183(D), Expected = 115.70, Std = 5.0500, ChiSquare = 2.7759e-01 1.Y83 C = 174.915(D), Expected = 175.39, Std = 1.8900, ChiSquare = 8.0156e-01 1.Y83 CA = 62.559(D), Expected = 58.02, Std = 2.6400, ChiSquare = 8.5557e-02 1.Y83 CB = 39.300(D), Expected = 39.16, Std = 2.2300, ChiSquare = 9.4994e-01 1.Y83 H = 8.520(D), Expected = 8.37, Std = 0.7500, ChiSquare = 8.4148e-01 1.Y83 N = 119.227(D), Expected = 120.79, Std = 4.6900, ChiSquare = 7.3894e-01 1.D84 C = 173.914(D), Expected = 176.41, Std = 1.7700, ChiSquare = 1.5849e-01 1.D84 CA = 52.126(D), Expected = 54.52, Std = 2.1000, ChiSquare = 2.5429e-01 1.D84 CB = 38.512(D), Expected = 40.70, Std = 1.6700, ChiSquare = 1.9013e-01 1.D84 H = 8.182(D), Expected = 8.33, Std = 0.5700, ChiSquare = 7.9513e-01 1.D84 N = 112.277(D), Expected = 120.73, Std = 4.2000, ChiSquare = 4.4155e-02 1.D85 C = 174.472(D), Expected = 176.41, Std = 1.7700, ChiSquare = 2.7355e-01 1.D85 CA = 56.597(D), Expected = 54.52, Std = 2.1000, ChiSquare = 3.2264e-01 1.D85 CB = 37.802(D), Expected = 40.70, Std = 1.6700, ChiSquare = 8.2683e-02 1.D85 H = 7.797(D), Expected = 8.33, Std = 0.5700, ChiSquare = 3.4974e-01 1.D85 N = 114.152(D), Expected = 120.73, Std = 4.2000, ChiSquare = 1.1730e-01 1.K86 C = 175.513(D), Expected = 176.46, Std = 2.0500, ChiSquare = 6.4412e-01 1.K86 CA = 54.516(D), Expected = 56.84, Std = 2.2500, ChiSquare = 3.0166e-01 1.K86 CB = 33.072(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.9758e-01 1.K86 H = 7.605(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.3658e-01 1.K86 N = 114.371(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.8570e-02 1.V87 C = 174.664(D), Expected = 175.69, Std = 2.0300, ChiSquare = 6.1326e-01 1.V87 CA = 60.478(D), Expected = 62.48, Std = 3.0400, ChiSquare = 5.1018e-01 1.V87 CB = 34.727(D), Expected = 32.66, Std = 1.9100, ChiSquare = 2.7916e-01 1.V87 H = 9.171(D), Expected = 8.29, Std = 0.7100, ChiSquare = 2.1466e-01 1.V87 N = 119.230(D), Expected = 121.02, Std = 4.9600, ChiSquare = 7.1818e-01 1.L88 C = 175.351(D), Expected = 176.97, Std = 2.0900, ChiSquare = 4.3855e-01 1.L88 CA = 52.611(D), Expected = 55.65, Std = 2.2100, ChiSquare = 1.6910e-01 1.L88 CB = 42.533(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.3017e-01 1.L88 H = 9.744(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.9047e-02 1.L88 N = 127.589(D), Expected = 121.98, Std = 4.0700, ChiSquare = 1.6816e-01 1.K89 C = 175.865(D), Expected = 176.46, Std = 2.0500, ChiSquare = 7.7163e-01 1.K89 CA = 55.143(D), Expected = 56.84, Std = 2.2500, ChiSquare = 4.5072e-01 1.K89 CB = 33.545(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.0371e-01 1.K89 H = 9.030(D), Expected = 8.22, Std = 0.6400, ChiSquare = 2.0565e-01 1.K89 N = 125.167(D), Expected = 121.16, Std = 4.1100, ChiSquare = 3.2959e-01 1.I90 C = 174.317(D), Expected = 175.82, Std = 1.9500, ChiSquare = 4.4084e-01 1.I90 CA = 58.742(D), Expected = 61.59, Std = 2.7800, ChiSquare = 3.0562e-01 1.I90 CB = 37.644(D), Expected = 38.58, Std = 2.0900, ChiSquare = 6.5426e-01 1.I90 H = 7.907(D), Expected = 8.26, Std = 0.7100, ChiSquare = 6.1906e-01 1.I90 N = 127.198(D), Expected = 121.60, Std = 4.7200, ChiSquare = 2.3562e-01 1.N91 C = 175.264(D), Expected = 175.16, Std = 1.7600, ChiSquare = 9.5288e-01 1.N91 CA = 52.663(D), Expected = 53.43, Std = 1.9400, ChiSquare = 6.9258e-01 1.N91 CB = 39.221(D), Expected = 38.66, Std = 1.7800, ChiSquare = 7.5263e-01 1.N91 H = 8.653(D), Expected = 8.37, Std = 0.6500, ChiSquare = 6.6328e-01 1.N91 N = 128.292(D), Expected = 119.13, Std = 4.4200, ChiSquare = 3.8186e-02 1.P92 C = 177.133(D), Expected = 176.70, Std = 1.6900, ChiSquare = 7.9779e-01 1.P92 CA = 65.456(D), Expected = 63.30, Std = 1.6400, ChiSquare = 1.8863e-01 1.P92 CB = 33.695(D), Expected = 31.81, Std = 1.5400, ChiSquare = 2.2094e-01 1.E93 C = 175.865(D), Expected = 176.93, Std = 2.1100, ChiSquare = 6.1374e-01 1.E93 CA = 55.726(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.3922e-01 1.E93 CB = 28.735(D), Expected = 30.07, Std = 1.8400, ChiSquare = 4.6812e-01 1.E93 H = 8.857(D), Expected = 8.34, Std = 0.6100, ChiSquare = 3.9669e-01 1.E93 N = 114.620(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.9612e-02 1.T94 C = 173.576(D), Expected = 174.60, Std = 1.8000, ChiSquare = 5.6943e-01 1.T94 CA = 65.942(D), Expected = 62.15, Std = 2.7200, ChiSquare = 1.6328e-01 1.T94 CB = 68.861(D), Expected = 69.64, Std = 1.7000, ChiSquare = 6.4678e-01 1.T94 H = 7.831(D), Expected = 8.27, Std = 0.6200, ChiSquare = 4.7891e-01 1.T94 N = 119.113(D), Expected = 115.70, Std = 5.0500, ChiSquare = 4.9914e-01 1.R95 C = 175.219(D), Expected = 176.49, Std = 2.1600, ChiSquare = 5.5625e-01 1.R95 CA = 53.783(D), Expected = 56.95, Std = 2.4100, ChiSquare = 1.8881e-01 1.R95 CB = 28.656(D), Expected = 30.66, Std = 1.7700, ChiSquare = 2.5755e-01 1.R95 H = 8.404(D), Expected = 8.24, Std = 0.6000, ChiSquare = 7.8460e-01 1.R95 N = 129.352(D), Expected = 120.61, Std = 3.9000, ChiSquare = 2.4991e-02 1.L96 C = 174.109(D), Expected = 176.97, Std = 2.0900, ChiSquare = 1.7103e-01 1.L96 CA = 51.597(D), Expected = 55.65, Std = 2.2100, ChiSquare = 6.6664e-02 1.L96 CB = 43.085(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.0068e-01 1.L96 H = 8.056(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.0080e-01 1.L96 N = 127.042(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.1360e-01 1.P97 C = 175.745(D), Expected = 176.70, Std = 1.6900, ChiSquare = 5.7201e-01 1.P97 CA = 63.065(D), Expected = 63.30, Std = 1.6400, ChiSquare = 8.8606e-01 1.P97 CB = 32.670(D), Expected = 31.81, Std = 1.5400, ChiSquare = 5.7654e-01 1.R98 C = 175.628(D), Expected = 176.49, Std = 2.1600, ChiSquare = 6.8984e-01 1.R98 CA = 58.224(D), Expected = 56.95, Std = 2.4100, ChiSquare = 5.9706e-01 1.R98 CB = 30.154(D), Expected = 30.66, Std = 1.7700, ChiSquare = 7.7497e-01 1.R98 H = 8.291(D), Expected = 8.24, Std = 0.6000, ChiSquare = 9.3226e-01 1.R98 N = 123.888(D), Expected = 120.61, Std = 3.9000, ChiSquare = 4.0062e-01 1.N99 C = 175.581(D), Expected = 175.16, Std = 1.7600, ChiSquare = 8.1095e-01 1.N99 CA = 52.913(D), Expected = 53.43, Std = 1.9400, ChiSquare = 7.8986e-01 1.N99 CB = 40.168(D), Expected = 38.66, Std = 1.7800, ChiSquare = 3.9689e-01 1.N99 H = 7.594(D), Expected = 8.37, Std = 0.6500, ChiSquare = 2.3254e-01 1.N99 N = 117.394(D), Expected = 119.13, Std = 4.4200, ChiSquare = 6.9450e-01 1.Y100 C = 175.511(D), Expected = 175.39, Std = 1.8900, ChiSquare = 9.4895e-01 1.Y100 CA = 60.321(D), Expected = 58.02, Std = 2.6400, ChiSquare = 3.8343e-01 1.Y100 CB = 39.056(D), Expected = 39.16, Std = 2.2300, ChiSquare = 9.6280e-01 1.Y100 H = 8.849(D), Expected = 8.37, Std = 0.7500, ChiSquare = 5.2304e-01 1.Y100 N = 128.214(D), Expected = 120.79, Std = 4.6900, ChiSquare = 1.1343e-01 1.F101 C = 177.400(D), Expected = 175.49, Std = 2.1300, ChiSquare = 3.6987e-01 1.F101 CA = 58.975(D), Expected = 58.25, Std = 2.7300, ChiSquare = 7.9057e-01 1.F101 CB = 35.910(D), Expected = 39.95, Std = 2.0400, ChiSquare = 4.7660e-02 1.F101 H = 7.178(D), Expected = 8.42, Std = 0.7400, ChiSquare = 9.3273e-02 1.F101 N = 116.368(D), Expected = 120.69, Std = 4.1800, ChiSquare = 3.0115e-01 1.R102 C = 179.750(D), Expected = 176.49, Std = 2.1600, ChiSquare = 1.3123e-01 1.R102 CA = 58.775(D), Expected = 56.95, Std = 2.4100, ChiSquare = 4.4889e-01 1.R102 CB = 29.287(D), Expected = 30.66, Std = 1.7700, ChiSquare = 4.3792e-01 1.R102 H = 8.095(D), Expected = 8.24, Std = 0.6000, ChiSquare = 8.0904e-01 1.R102 N = 118.744(D), Expected = 120.61, Std = 3.9000, ChiSquare = 6.3232e-01 1.F103 C = 175.218(D), Expected = 175.49, Std = 2.1300, ChiSquare = 8.9839e-01 1.F103 CA = 60.956(D), Expected = 58.25, Std = 2.7300, ChiSquare = 3.2158e-01 1.F103 CB = 37.093(D), Expected = 39.95, Std = 2.0400, ChiSquare = 1.6137e-01 1.F103 H = 7.969(D), Expected = 8.42, Std = 0.7400, ChiSquare = 5.4222e-01 1.F103 N = 121.209(D), Expected = 120.69, Std = 4.1800, ChiSquare = 9.0119e-01 1.L104 C = 178.452(D), Expected = 176.97, Std = 2.0900, ChiSquare = 4.7827e-01 1.L104 CA = 57.292(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.5749e-01 1.L104 CB = 40.275(D), Expected = 42.37, Std = 1.8600, ChiSquare = 2.6002e-01 1.L104 H = 7.771(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.8971e-01 1.L104 N = 121.005(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.1067e-01 1.G105 C = 176.119(D), Expected = 174.04, Std = 1.9400, ChiSquare = 2.8388e-01 1.G105 CA = 47.232(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.8043e-01 1.G105 H = 7.663(D), Expected = 8.34, Std = 0.7400, ChiSquare = 3.6026e-01 1.G105 N = 104.855(D), Expected = 109.91, Std = 4.2900, ChiSquare = 2.3867e-01 1.V106 C = 178.452(D), Expected = 175.69, Std = 2.0300, ChiSquare = 1.7364e-01 1.V106 CA = 65.784(D), Expected = 62.48, Std = 3.0400, ChiSquare = 2.7711e-01 1.V106 CB = 31.652(D), Expected = 32.66, Std = 1.9100, ChiSquare = 5.9767e-01 1.V106 H = 7.349(D), Expected = 8.29, Std = 0.7100, ChiSquare = 1.8505e-01 1.V106 N = 120.870(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.7587e-01 1.M107 C = 177.551(D), Expected = 176.30, Std = 2.1300, ChiSquare = 5.5699e-01 1.M107 CA = 55.946(D), Expected = 56.16, Std = 2.3400, ChiSquare = 9.2713e-01 1.M107 CB = 31.652(D), Expected = 32.90, Std = 2.2300, ChiSquare = 5.7572e-01 1.M107 H = 7.679(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.3288e-01 1.M107 N = 116.351(D), Expected = 120.10, Std = 3.8800, ChiSquare = 3.3393e-01 1.E108 C = 176.904(D), Expected = 176.93, Std = 2.1100, ChiSquare = 9.9017e-01 1.E108 CA = 59.944(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.4911e-01 1.E108 CB = 29.050(D), Expected = 30.07, Std = 1.8400, ChiSquare = 5.7934e-01 1.E108 H = 8.996(D), Expected = 8.34, Std = 0.6100, ChiSquare = 2.8219e-01 1.E108 N = 120.300(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.1776e-01 1.K109 C = 178.336(D), Expected = 176.46, Std = 2.0500, ChiSquare = 3.6013e-01 1.K109 CA = 59.749(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.9605e-01 1.K109 CB = 32.271(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.6621e-01 1.K109 H = 6.872(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.5183e-02 1.K109 N = 115.764(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.8922e-01 1.V110 C = 180.068(D), Expected = 175.69, Std = 2.0300, ChiSquare = 3.1033e-02 1.V110 CA = 65.794(D), Expected = 62.48, Std = 3.0400, ChiSquare = 2.7566e-01 1.V110 CB = 31.490(D), Expected = 32.66, Std = 1.9100, ChiSquare = 5.4016e-01 1.V110 H = 7.215(D), Expected = 8.29, Std = 0.7100, ChiSquare = 1.3000e-01 1.V110 N = 117.355(D), Expected = 121.02, Std = 4.9600, ChiSquare = 4.5996e-01 1.L111 C = 178.199(D), Expected = 176.97, Std = 2.0900, ChiSquare = 5.5651e-01 1.L111 CA = 57.694(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.5502e-01 1.L111 CB = 40.877(D), Expected = 42.37, Std = 1.8600, ChiSquare = 4.2216e-01 1.L111 H = 8.460(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.1196e-01 1.L111 N = 120.167(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.5599e-01 1.K112 C = 176.719(D), Expected = 176.46, Std = 2.0500, ChiSquare = 8.9946e-01 1.K112 CA = 57.332(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.2691e-01 1.K112 CB = 32.677(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.3514e-01 1.K112 H = 7.681(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.9968e-01 1.K112 N = 116.515(D), Expected = 121.16, Std = 4.1100, ChiSquare = 2.5840e-01 1.G113 C = 174.617(D), Expected = 174.04, Std = 1.9400, ChiSquare = 7.6614e-01 1.G113 CA = 45.150(D), Expected = 45.33, Std = 1.4200, ChiSquare = 8.9913e-01 1.G113 H = 7.852(D), Expected = 8.34, Std = 0.7400, ChiSquare = 5.0960e-01 1.G113 N = 106.574(D), Expected = 109.91, Std = 4.2900, ChiSquare = 4.3679e-01 1.E114 C = 176.924(D), Expected = 176.93, Std = 2.1100, ChiSquare = 9.9773e-01 1.E114 CA = 56.412(D), Expected = 57.42, Std = 2.1900, ChiSquare = 6.4532e-01 1.E114 CB = 29.050(D), Expected = 30.07, Std = 1.8400, ChiSquare = 5.7934e-01 1.E114 H = 8.017(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.9645e-01 1.E114 N = 121.027(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.2488e-01 1.R115 C = 175.511(D), Expected = 176.49, Std = 2.1600, ChiSquare = 6.5038e-01 1.R115 CA = 56.821(D), Expected = 56.95, Std = 2.4100, ChiSquare = 9.5731e-01 1.R115 CB = 29.674(D), Expected = 30.66, Std = 1.7700, ChiSquare = 5.7748e-01 1.R115 H = 8.542(D), Expected = 8.24, Std = 0.6000, ChiSquare = 6.1473e-01 1.R115 N = 126.339(D), Expected = 120.61, Std = 3.9000, ChiSquare = 1.4184e-01 1.N116 C = 175.172(D), Expected = 175.16, Std = 1.7600, ChiSquare = 9.9456e-01 1.N116 CA = 52.425(D), Expected = 53.43, Std = 1.9400, ChiSquare = 6.0443e-01 1.N116 CB = 40.719(D), Expected = 38.66, Std = 1.7800, ChiSquare = 2.4738e-01 1.N116 H = 8.778(D), Expected = 8.37, Std = 0.6500, ChiSquare = 5.3021e-01 1.N116 N = 124.542(D), Expected = 119.13, Std = 4.4200, ChiSquare = 2.2079e-01 1.H117 C = 174.518(D), Expected = 175.19, Std = 2.1400, ChiSquare = 7.5351e-01 1.H117 CA = 57.722(D), Expected = 56.37, Std = 2.4000, ChiSquare = 5.7321e-01 1.H117 CB = 28.649(D), Expected = 29.95, Std = 2.1500, ChiSquare = 5.4510e-01 1.L118 C = 175.010(D), Expected = 176.97, Std = 2.0900, ChiSquare = 3.4835e-01 1.L118 CA = 55.416(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.1568e-01 1.L118 CB = 42.210(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.3145e-01 1.L118 H = 8.244(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.7055e-01 1.L118 N = 118.683(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.1790e-01 1.I119 C = 173.440(D), Expected = 175.82, Std = 1.9500, ChiSquare = 2.2227e-01 1.I119 CA = 60.000(D), Expected = 61.59, Std = 2.7800, ChiSquare = 5.6736e-01 1.I119 CB = 40.010(D), Expected = 38.58, Std = 2.0900, ChiSquare = 4.9384e-01 1.I119 H = 7.263(D), Expected = 8.26, Std = 0.7100, ChiSquare = 1.6025e-01 1.I119 N = 118.761(D), Expected = 121.60, Std = 4.7200, ChiSquare = 5.4752e-01 1.K120 C = 174.987(D), Expected = 176.46, Std = 2.0500, ChiSquare = 4.7243e-01 1.K120 CA = 54.703(D), Expected = 56.84, Std = 2.2500, ChiSquare = 3.4223e-01 1.K120 CB = 34.727(D), Expected = 32.83, Std = 1.8800, ChiSquare = 3.1295e-01 1.K120 H = 7.887(D), Expected = 8.22, Std = 0.6400, ChiSquare = 6.0285e-01 1.K120 N = 125.596(D), Expected = 121.16, Std = 4.1100, ChiSquare = 2.8045e-01 1.M121 C = 174.872(D), Expected = 176.30, Std = 2.1300, ChiSquare = 5.0259e-01 1.M121 CA = 54.499(D), Expected = 56.16, Std = 2.3400, ChiSquare = 4.7781e-01 1.M121 CB = 36.304(D), Expected = 32.90, Std = 2.2300, ChiSquare = 1.2690e-01 1.M121 H = 8.638(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.2869e-01 1.M121 N = 125.521(D), Expected = 120.10, Std = 3.8800, ChiSquare = 1.6236e-01 1.E122 C = 173.740(D), Expected = 176.93, Std = 2.1100, ChiSquare = 1.3057e-01 1.E122 CA = 54.095(D), Expected = 57.42, Std = 2.1900, ChiSquare = 1.2895e-01 1.E122 CB = 32.520(D), Expected = 30.07, Std = 1.8400, ChiSquare = 1.8302e-01 1.E122 H = 9.218(D), Expected = 8.34, Std = 0.6100, ChiSquare = 1.5005e-01 1.E122 N = 124.308(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.2420e-01 1.E123 C = 175.102(D), Expected = 176.93, Std = 2.1100, ChiSquare = 3.8630e-01 1.E123 CA = 56.101(D), Expected = 57.42, Std = 2.1900, ChiSquare = 5.4699e-01 1.E123 CB = 28.814(D), Expected = 30.07, Std = 1.8400, ChiSquare = 4.9485e-01 1.E123 H = 8.543(D), Expected = 8.34, Std = 0.6100, ChiSquare = 7.3929e-01 1.E123 N = 122.042(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.1130e-01 1.K124 C = 173.578(D), Expected = 176.46, Std = 2.0500, ChiSquare = 1.5977e-01 1.K124 CA = 55.143(D), Expected = 56.84, Std = 2.2500, ChiSquare = 4.5072e-01 1.K124 CB = 36.068(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.5008e-02 1.K124 H = 8.048(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.8812e-01 1.K124 N = 126.339(D), Expected = 121.16, Std = 4.1100, ChiSquare = 2.0763e-01 1.T125 C = 174.502(D), Expected = 174.60, Std = 1.8000, ChiSquare = 9.5658e-01 1.T125 CA = 60.394(D), Expected = 62.15, Std = 2.7200, ChiSquare = 5.1855e-01 1.T125 CB = 70.977(D), Expected = 69.64, Std = 1.7000, ChiSquare = 4.3159e-01 1.T125 H = 7.836(D), Expected = 8.27, Std = 0.6200, ChiSquare = 4.8393e-01 1.T125 N = 109.542(D), Expected = 115.70, Std = 5.0500, ChiSquare = 2.2269e-01 1.L126 C = 177.712(D), Expected = 176.97, Std = 2.0900, ChiSquare = 7.2257e-01 1.L126 CA = 57.494(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.0406e-01 1.L126 CB = 40.700(D), Expected = 42.37, Std = 1.8600, ChiSquare = 3.6927e-01 1.L126 H = 8.536(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.2686e-01 1.L126 N = 122.276(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.4202e-01 1.E127 C = 176.996(D), Expected = 176.93, Std = 2.1100, ChiSquare = 9.7505e-01 1.E127 CA = 62.025(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.5489e-02 1.E127 CB = 27.316(D), Expected = 30.07, Std = 1.8400, ChiSquare = 1.3446e-01 1.E127 H = 9.320(D), Expected = 8.34, Std = 0.6100, ChiSquare = 1.0815e-01 1.E127 N = 116.105(D), Expected = 120.68, Std = 3.6800, ChiSquare = 2.1379e-01 1.D128 C = 179.283(D), Expected = 176.41, Std = 1.7700, ChiSquare = 1.0455e-01 1.D128 CA = 56.754(D), Expected = 54.52, Std = 2.1000, ChiSquare = 2.8742e-01 1.D128 CB = 39.608(D), Expected = 40.70, Std = 1.6700, ChiSquare = 5.1318e-01 1.D128 H = 7.228(D), Expected = 8.33, Std = 0.5700, ChiSquare = 5.3195e-02 1.D128 N = 115.376(D), Expected = 120.73, Std = 4.2000, ChiSquare = 2.0239e-01 1.L129 C = 176.996(D), Expected = 176.97, Std = 2.0900, ChiSquare = 9.9007e-01 1.L129 CA = 57.913(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.0584e-01 1.L129 CB = 40.798(D), Expected = 42.37, Std = 1.8600, ChiSquare = 3.9802e-01 1.L129 H = 8.244(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.7055e-01 1.L129 N = 123.450(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.1797e-01 1.L130 C = 177.712(D), Expected = 176.97, Std = 2.0900, ChiSquare = 7.2257e-01 1.L130 CA = 57.441(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.1771e-01 1.L130 CB = 40.483(D), Expected = 42.37, Std = 1.8600, ChiSquare = 3.1034e-01 1.L130 H = 7.758(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.7723e-01 1.L130 N = 116.994(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.2055e-01 1.N131 C = 178.474(D), Expected = 175.16, Std = 1.7600, ChiSquare = 5.9707e-02 1.N131 CA = 54.741(D), Expected = 53.43, Std = 1.9400, ChiSquare = 4.9918e-01 1.N131 CB = 36.777(D), Expected = 38.66, Std = 1.7800, ChiSquare = 2.9012e-01 1.N131 H = 7.247(D), Expected = 8.37, Std = 0.6500, ChiSquare = 8.4043e-02 1.N131 N = 115.946(D), Expected = 119.13, Std = 4.4200, ChiSquare = 4.7130e-01 1.E132 C = 178.036(D), Expected = 176.93, Std = 2.1100, ChiSquare = 6.0016e-01 1.E132 CA = 59.027(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.6308e-01 1.E132 CB = 28.893(D), Expected = 30.07, Std = 1.8400, ChiSquare = 5.2238e-01 1.E132 H = 8.394(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.2946e-01 1.E132 N = 124.698(D), Expected = 120.68, Std = 3.6800, ChiSquare = 2.7490e-01 1.I133 C = 175.079(D), Expected = 175.82, Std = 1.9500, ChiSquare = 7.0395e-01 1.I133 CA = 60.872(D), Expected = 61.59, Std = 2.7800, ChiSquare = 7.9620e-01 1.I133 CB = 36.646(D), Expected = 38.58, Std = 2.0900, ChiSquare = 3.5478e-01 1.I133 H = 7.671(D), Expected = 8.26, Std = 0.7100, ChiSquare = 4.0678e-01 1.I133 N = 110.246(D), Expected = 121.60, Std = 4.7200, ChiSquare = 1.6150e-02 1.N134 C = 173.760(D), Expected = 175.16, Std = 1.7600, ChiSquare = 4.2635e-01 1.N134 CA = 53.448(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.9260e-01 1.N134 CB = 36.729(D), Expected = 38.66, Std = 1.7800, ChiSquare = 2.7800e-01 1.N134 H = 7.731(D), Expected = 8.37, Std = 0.6500, ChiSquare = 3.2557e-01 1.N134 N = 118.029(D), Expected = 119.13, Std = 4.4200, ChiSquare = 8.0329e-01 1.A135 C = 177.323(D), Expected = 177.80, Std = 2.1800, ChiSquare = 8.2680e-01 1.A135 CA = 52.865(D), Expected = 53.16, Std = 2.0600, ChiSquare = 8.8613e-01 1.A135 CB = 19.668(D), Expected = 18.90, Std = 1.8500, ChiSquare = 6.7804e-01 1.A135 H = 7.592(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.1090e-01 1.A135 N = 120.665(D), Expected = 123.23, Std = 3.7000, ChiSquare = 4.8816e-01 1.K136 C = 176.558(D), Expected = 176.46, Std = 2.0500, ChiSquare = 9.6187e-01 1.K136 CA = 57.551(D), Expected = 56.84, Std = 2.2500, ChiSquare = 7.5200e-01 1.K136 CB = 34.727(D), Expected = 32.83, Std = 1.8800, ChiSquare = 3.1295e-01 1.K136 H = 9.124(D), Expected = 8.22, Std = 0.6400, ChiSquare = 1.5780e-01 1.K136 N = 124.620(D), Expected = 121.16, Std = 4.1100, ChiSquare = 3.9987e-01 1.K137 C = 173.809(D), Expected = 176.46, Std = 2.0500, ChiSquare = 1.9595e-01 1.K137 CA = 55.816(D), Expected = 56.84, Std = 2.2500, ChiSquare = 6.4903e-01 1.K137 CB = 33.308(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.9930e-01 1.K137 H = 10.074(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.7690e-03 1.K137 N = 127.198(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.4181e-01 1.I138 C = 173.324(D), Expected = 175.82, Std = 1.9500, ChiSquare = 2.0054e-01 1.I138 CA = 60.153(D), Expected = 61.59, Std = 2.7800, ChiSquare = 6.0522e-01 1.I138 CB = 40.168(D), Expected = 38.58, Std = 2.0900, ChiSquare = 4.4737e-01 1.I138 H = 8.665(D), Expected = 8.26, Std = 0.7100, ChiSquare = 5.6839e-01 1.I138 N = 125.854(D), Expected = 121.60, Std = 4.7200, ChiSquare = 3.6744e-01 1.A139 C = 176.073(D), Expected = 177.80, Std = 2.1800, ChiSquare = 4.2824e-01 1.A139 CA = 49.314(D), Expected = 53.16, Std = 2.0600, ChiSquare = 6.1903e-02 1.A139 CB = 19.195(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.7331e-01 1.A139 H = 8.658(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.4526e-01 1.A139 N = 131.184(D), Expected = 123.23, Std = 3.7000, ChiSquare = 3.1577e-02 1.I140 C = 174.825(D), Expected = 175.82, Std = 1.9500, ChiSquare = 6.0987e-01 1.I140 CA = 60.243(D), Expected = 61.59, Std = 2.7800, ChiSquare = 6.2801e-01 1.I140 CB = 38.512(D), Expected = 38.58, Std = 2.0900, ChiSquare = 9.7404e-01 1.I140 H = 8.771(D), Expected = 8.26, Std = 0.7100, ChiSquare = 4.7170e-01 1.I140 N = 122.666(D), Expected = 121.60, Std = 4.7200, ChiSquare = 8.2132e-01 1.M141 C = 175.726(D), Expected = 176.30, Std = 2.1300, ChiSquare = 7.8756e-01 1.M141 CA = 52.321(D), Expected = 56.16, Std = 2.3400, ChiSquare = 1.0088e-01 1.M141 CB = 27.552(D), Expected = 32.90, Std = 2.2300, ChiSquare = 1.6476e-02 1.M141 H = 8.486(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.0642e-01 1.M141 N = 125.747(D), Expected = 120.10, Std = 3.8800, ChiSquare = 1.4555e-01 1.T142 C = 174.040(D), Expected = 174.60, Std = 1.8000, ChiSquare = 7.5572e-01 1.T142 CA = 59.044(D), Expected = 62.15, Std = 2.7200, ChiSquare = 2.5349e-01 1.T142 CB = 69.971(D), Expected = 69.64, Std = 1.7000, ChiSquare = 8.4562e-01 1.T142 H = 8.830(D), Expected = 8.27, Std = 0.6200, ChiSquare = 3.6641e-01 1.T142 N = 119.858(D), Expected = 115.70, Std = 5.0500, ChiSquare = 4.1030e-01 1.K143 C = 176.858(D), Expected = 176.46, Std = 2.0500, ChiSquare = 8.4606e-01 1.K143 CA = 58.328(D), Expected = 56.84, Std = 2.2500, ChiSquare = 5.0840e-01 1.K143 CB = 32.520(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.6903e-01 1.K143 H = 8.566(D), Expected = 8.22, Std = 0.6400, ChiSquare = 5.8877e-01 1.K143 N = 124.308(D), Expected = 121.16, Std = 4.1100, ChiSquare = 4.4371e-01 1.T144 C = 174.756(D), Expected = 174.60, Std = 1.8000, ChiSquare = 9.3094e-01 1.T144 CA = 61.011(D), Expected = 62.15, Std = 2.7200, ChiSquare = 6.7540e-01 1.T144 CB = 68.315(D), Expected = 69.64, Std = 1.7000, ChiSquare = 4.3574e-01 1.T144 H = 7.537(D), Expected = 8.27, Std = 0.6200, ChiSquare = 2.3710e-01 1.T144 N = 107.042(D), Expected = 115.70, Std = 5.0500, ChiSquare = 8.6445e-02 1.G145 C = 171.407(D), Expected = 174.04, Std = 1.9400, ChiSquare = 1.7471e-01 1.G145 CA = 43.729(D), Expected = 45.33, Std = 1.4200, ChiSquare = 2.5955e-01 1.G145 H = 7.522(D), Expected = 8.34, Std = 0.7400, ChiSquare = 2.6898e-01 1.G145 N = 108.996(D), Expected = 109.91, Std = 4.2900, ChiSquare = 8.3129e-01 1.K146 C = 177.897(D), Expected = 176.46, Std = 2.0500, ChiSquare = 4.8332e-01 1.K146 CA = 56.464(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.6728e-01 1.K146 CB = 32.598(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.0179e-01 1.K146 H = 7.679(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.9794e-01 1.K146 N = 121.027(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.7419e-01 1.L147 C = 176.881(D), Expected = 176.97, Std = 2.0900, ChiSquare = 9.6603e-01 1.L147 CA = 56.385(D), Expected = 55.65, Std = 2.2100, ChiSquare = 7.3945e-01 1.L147 CB = 40.798(D), Expected = 42.37, Std = 1.8600, ChiSquare = 3.9802e-01 1.L147 H = 8.731(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.3178e-01 1.L147 N = 133.920(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.3499e-03 1.T148 C = 171.915(D), Expected = 174.60, Std = 1.8000, ChiSquare = 1.3579e-01 1.T148 CA = 61.771(D), Expected = 62.15, Std = 2.7200, ChiSquare = 8.8918e-01 1.T148 CB = 72.100(D), Expected = 69.64, Std = 1.7000, ChiSquare = 1.4788e-01 1.T148 H = 8.975(D), Expected = 8.27, Std = 0.6200, ChiSquare = 2.5550e-01 1.T148 N = 126.261(D), Expected = 115.70, Std = 5.0500, ChiSquare = 3.6502e-02 1.H149 C = 174.848(D), Expected = 175.19, Std = 2.1400, ChiSquare = 8.7303e-01 1.H149 CA = 55.778(D), Expected = 56.37, Std = 2.4000, ChiSquare = 8.0517e-01 1.H149 CB = 31.082(D), Expected = 29.95, Std = 2.1500, ChiSquare = 5.9853e-01 1.H149 H = 8.543(D), Expected = 8.25, Std = 0.7400, ChiSquare = 6.9214e-01 1.H149 N = 128.030(D), Expected = 119.44, Std = 4.5200, ChiSquare = 5.7375e-02 1.P150 C = 177.573(D), Expected = 176.70, Std = 1.6900, ChiSquare = 6.0546e-01 1.P150 CA = 64.981(D), Expected = 63.30, Std = 1.6400, ChiSquare = 3.0536e-01 1.P150 CB = 31.179(D), Expected = 31.81, Std = 1.5400, ChiSquare = 6.8200e-01 1.K151 C = 178.055(D), Expected = 176.46, Std = 2.0500, ChiSquare = 4.3654e-01 1.K151 CA = 59.027(D), Expected = 56.84, Std = 2.2500, ChiSquare = 3.3105e-01 1.K151 CB = 31.339(D), Expected = 32.83, Std = 1.8800, ChiSquare = 4.2773e-01 1.K151 H = 10.946(S), Expected = 8.22, Std = 0.6400, ChiSquare = 2.0500e-05 1.K151 N = 122.390(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.6473e-01 1.L152 C = 178.552(D), Expected = 176.97, Std = 2.0900, ChiSquare = 4.4909e-01 1.L152 CA = 55.219(D), Expected = 55.65, Std = 2.2100, ChiSquare = 8.4538e-01 1.L152 CB = 40.877(D), Expected = 42.37, Std = 1.8600, ChiSquare = 4.2216e-01 1.L152 H = 8.160(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.2645e-01 1.L152 N = 118.808(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.3577e-01 1.L153 C = 176.812(D), Expected = 176.97, Std = 2.0900, ChiSquare = 9.3974e-01 1.L153 CA = 57.326(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.4823e-01 1.L153 CB = 39.450(D), Expected = 42.37, Std = 1.8600, ChiSquare = 1.1644e-01 1.L153 H = 7.842(D), Expected = 8.22, Std = 0.6500, ChiSquare = 5.6088e-01 1.L153 N = 118.208(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.5404e-01 1.K154 C = 176.350(D), Expected = 176.46, Std = 2.0500, ChiSquare = 9.5721e-01 1.K154 CA = 58.369(D), Expected = 56.84, Std = 2.2500, ChiSquare = 4.9679e-01 1.K154 CB = 32.362(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.0341e-01 1.K154 H = 7.066(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.1369e-02 1.K154 N = 112.199(D), Expected = 121.16, Std = 4.1100, ChiSquare = 2.9236e-02 1.E155 C = 175.333(D), Expected = 176.93, Std = 2.1100, ChiSquare = 4.4913e-01 1.E155 CA = 56.619(D), Expected = 57.42, Std = 2.1900, ChiSquare = 7.1455e-01 1.E155 CB = 28.814(D), Expected = 30.07, Std = 1.8400, ChiSquare = 4.9485e-01 1.E155 H = 7.411(D), Expected = 8.34, Std = 0.6100, ChiSquare = 1.2777e-01 1.E155 N = 116.410(D), Expected = 120.68, Std = 3.6800, ChiSquare = 2.4592e-01 1.Y156 C = 173.555(D), Expected = 175.39, Std = 1.8900, ChiSquare = 3.3160e-01 1.Y156 CA = 57.965(D), Expected = 58.02, Std = 2.6400, ChiSquare = 9.8338e-01 1.Y156 CB = 38.354(D), Expected = 39.16, Std = 2.2300, ChiSquare = 7.1777e-01 1.Y156 H = 7.718(D), Expected = 8.37, Std = 0.7500, ChiSquare = 3.8467e-01 1.Y156 N = 120.415(D), Expected = 120.79, Std = 4.6900, ChiSquare = 9.3627e-01 1.D157 C = 175.542(D), Expected = 176.41, Std = 1.7700, ChiSquare = 6.2385e-01 1.D157 CA = 53.826(D), Expected = 54.52, Std = 2.1000, ChiSquare = 7.4104e-01 1.D157 CB = 43.006(D), Expected = 40.70, Std = 1.6700, ChiSquare = 1.6733e-01 1.D157 H = 8.456(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.2505e-01 1.D157 N = 113.292(D), Expected = 120.73, Std = 4.2000, ChiSquare = 7.6569e-02 1.T158 C = 170.530(D), Expected = 174.60, Std = 1.8000, ChiSquare = 2.3752e-02 1.T158 CA = 62.166(D), Expected = 62.15, Std = 2.7200, ChiSquare = 9.9531e-01 1.T158 CB = 72.176(D), Expected = 69.64, Std = 1.7000, ChiSquare = 1.3576e-01 1.T158 H = 7.406(D), Expected = 8.27, Std = 0.6200, ChiSquare = 1.6345e-01 1.T158 N = 117.074(D), Expected = 115.70, Std = 5.0500, ChiSquare = 7.8556e-01 1.F159 C = 174.063(D), Expected = 175.49, Std = 2.1300, ChiSquare = 5.0289e-01 1.F159 CA = 55.946(D), Expected = 58.25, Std = 2.7300, ChiSquare = 3.9869e-01 1.F159 CB = 42.612(D), Expected = 39.95, Std = 2.0400, ChiSquare = 1.9193e-01 1.F159 H = 8.708(D), Expected = 8.42, Std = 0.7400, ChiSquare = 6.9714e-01 1.F159 N = 124.744(D), Expected = 120.69, Std = 4.1800, ChiSquare = 3.3212e-01 1.I160 C = 173.486(D), Expected = 175.82, Std = 1.9500, ChiSquare = 2.3134e-01 1.I160 CA = 60.140(D), Expected = 61.59, Std = 2.7800, ChiSquare = 6.0196e-01 1.I160 CB = 38.985(D), Expected = 38.58, Std = 2.0900, ChiSquare = 8.4635e-01 1.I160 H = 9.069(D), Expected = 8.26, Std = 0.7100, ChiSquare = 2.5452e-01 1.I160 N = 121.583(D), Expected = 121.60, Std = 4.7200, ChiSquare = 9.9713e-01 1.I161 C = 175.703(D), Expected = 175.82, Std = 1.9500, ChiSquare = 9.5216e-01 1.I161 CA = 60.187(D), Expected = 61.59, Std = 2.7800, ChiSquare = 6.1379e-01 1.I161 CB = 41.902(D), Expected = 38.58, Std = 2.0900, ChiSquare = 1.1195e-01 1.I161 H = 8.896(D), Expected = 8.26, Std = 0.7100, ChiSquare = 3.7037e-01 1.I161 N = 128.136(D), Expected = 121.60, Std = 4.7200, ChiSquare = 1.6613e-01 1.G162 C = 173.647(D), Expected = 174.04, Std = 1.9400, ChiSquare = 8.3947e-01 1.G162 CA = 46.248(D), Expected = 45.33, Std = 1.4200, ChiSquare = 5.1797e-01 1.G162 H = 9.250(D), Expected = 8.34, Std = 0.7400, ChiSquare = 2.1880e-01 1.G162 N = 115.089(D), Expected = 109.91, Std = 4.2900, ChiSquare = 2.2734e-01 1.G163 C = 172.631(D), Expected = 174.04, Std = 1.9400, ChiSquare = 4.6766e-01 1.G163 CA = 45.621(D), Expected = 45.33, Std = 1.4200, ChiSquare = 8.3763e-01 1.G163 H = 9.462(D), Expected = 8.34, Std = 0.7400, ChiSquare = 1.2946e-01 1.G163 N = 118.683(D), Expected = 109.91, Std = 4.2900, ChiSquare = 4.0856e-02 1.F164 C = 173.878(D), Expected = 175.49, Std = 2.1300, ChiSquare = 4.4917e-01 1.F164 CA = 52.913(D), Expected = 58.25, Std = 2.7300, ChiSquare = 5.0590e-02 1.F164 CB = 38.748(D), Expected = 39.95, Std = 2.0400, ChiSquare = 5.5572e-01 1.F164 H = 7.027(D), Expected = 8.42, Std = 0.7400, ChiSquare = 5.9778e-02 1.F164 N = 115.558(D), Expected = 120.69, Std = 4.1800, ChiSquare = 2.1954e-01 1.P165 C = 174.888(D), Expected = 176.70, Std = 1.6900, ChiSquare = 2.8364e-01 1.P165 CA = 65.287(D), Expected = 63.30, Std = 1.6400, ChiSquare = 2.2567e-01 1.P165 CB = 31.645(D), Expected = 31.81, Std = 1.5400, ChiSquare = 9.1468e-01 1.Y166 C = 173.162(D), Expected = 175.39, Std = 1.8900, ChiSquare = 2.3846e-01 1.Y166 CA = 57.047(D), Expected = 58.02, Std = 2.6400, ChiSquare = 7.1246e-01 1.Y166 CB = 40.483(D), Expected = 39.16, Std = 2.2300, ChiSquare = 5.5300e-01 1.Y166 H = 7.263(D), Expected = 8.37, Std = 0.7500, ChiSquare = 1.3994e-01 1.Y166 N = 115.558(D), Expected = 120.79, Std = 4.6900, ChiSquare = 2.6461e-01 1.G167 C = 171.938(D), Expected = 174.04, Std = 1.9400, ChiSquare = 2.7858e-01 1.G167 CA = 43.895(D), Expected = 45.33, Std = 1.4200, ChiSquare = 3.1223e-01 1.G167 H = 7.859(D), Expected = 8.34, Std = 0.7400, ChiSquare = 5.1569e-01 1.G167 N = 108.761(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.8883e-01 1.K168 C = 174.918(D), Expected = 176.46, Std = 2.0500, ChiSquare = 4.5193e-01 1.K168 CA = 54.938(D), Expected = 56.84, Std = 2.2500, ChiSquare = 3.9793e-01 1.K168 CB = 34.570(D), Expected = 32.83, Std = 1.8800, ChiSquare = 3.5469e-01 1.K168 H = 7.819(D), Expected = 8.22, Std = 0.6400, ChiSquare = 5.3095e-01 1.K168 N = 119.028(D), Expected = 121.16, Std = 4.1100, ChiSquare = 6.0395e-01 1.L169 C = 174.848(D), Expected = 176.97, Std = 2.0900, ChiSquare = 3.0996e-01 1.L169 CA = 54.185(D), Expected = 55.65, Std = 2.2100, ChiSquare = 5.0740e-01 1.L169 CB = 43.164(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.6947e-01 1.L169 H = 8.543(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.1924e-01 1.L169 N = 125.480(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.8982e-01 1.K170 C = 174.294(D), Expected = 176.46, Std = 2.0500, ChiSquare = 2.9070e-01 1.K170 CA = 55.325(D), Expected = 56.84, Std = 2.2500, ChiSquare = 5.0074e-01 1.K170 CB = 32.914(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.6436e-01 1.K170 H = 8.386(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.9535e-01 1.K170 N = 127.120(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.4702e-01 1.I171 C = 173.832(D), Expected = 175.82, Std = 1.9500, ChiSquare = 3.0797e-01 1.I171 CA = 59.053(D), Expected = 61.59, Std = 2.7800, ChiSquare = 3.6146e-01 1.I171 CB = 40.562(D), Expected = 38.58, Std = 2.0900, ChiSquare = 3.4296e-01 1.I171 H = 8.103(D), Expected = 8.26, Std = 0.7100, ChiSquare = 8.2499e-01 1.I171 N = 123.370(D), Expected = 121.60, Std = 4.7200, ChiSquare = 7.0766e-01 1.N172 C = 175.219(D), Expected = 175.16, Std = 1.7600, ChiSquare = 9.7326e-01 1.N172 CA = 51.402(D), Expected = 53.43, Std = 1.9400, ChiSquare = 2.9586e-01 1.N172 CB = 36.541(D), Expected = 38.66, Std = 1.7800, ChiSquare = 2.3387e-01 1.N172 H = 9.854(D), Expected = 8.37, Std = 0.6500, ChiSquare = 2.2426e-02 1.N172 N = 126.964(D), Expected = 119.13, Std = 4.4200, ChiSquare = 7.6329e-02 1.K173 C = 177.297(D), Expected = 176.46, Std = 2.0500, ChiSquare = 6.8306e-01 1.K173 CA = 59.286(D), Expected = 56.84, Std = 2.2500, ChiSquare = 2.7699e-01 1.K173 CB = 32.047(D), Expected = 32.83, Std = 1.8800, ChiSquare = 6.7705e-01 1.K173 H = 8.111(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.6476e-01 1.K173 N = 124.151(D), Expected = 121.16, Std = 4.1100, ChiSquare = 4.6677e-01 1.E174 C = 176.973(D), Expected = 176.93, Std = 2.1100, ChiSquare = 9.8374e-01 1.E174 CA = 57.919(D), Expected = 57.42, Std = 2.1900, ChiSquare = 8.1976e-01 1.E174 CB = 28.104(D), Expected = 30.07, Std = 1.8400, ChiSquare = 2.8530e-01 1.E174 H = 8.315(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.6731e-01 1.E174 N = 116.652(D), Expected = 120.68, Std = 3.6800, ChiSquare = 2.7371e-01 1.K175 C = 174.987(D), Expected = 176.46, Std = 2.0500, ChiSquare = 4.7243e-01 1.K175 CA = 54.994(D), Expected = 56.84, Std = 2.2500, ChiSquare = 4.1196e-01 1.K175 CB = 32.993(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.3091e-01 1.K175 H = 7.208(D), Expected = 8.22, Std = 0.6400, ChiSquare = 1.1382e-01 1.K175 N = 116.027(D), Expected = 121.16, Std = 4.1100, ChiSquare = 2.1170e-01 1.V176 C = 175.218(D), Expected = 175.69, Std = 2.0300, ChiSquare = 8.1614e-01 1.V176 CA = 61.378(D), Expected = 62.48, Std = 3.0400, ChiSquare = 7.1698e-01 1.V176 CB = 33.353(D), Expected = 32.66, Std = 1.9100, ChiSquare = 7.1673e-01 1.V176 H = 7.019(D), Expected = 8.29, Std = 0.7100, ChiSquare = 7.3431e-02 1.V176 N = 120.480(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.1331e-01 1.F177 C = 177.966(D), Expected = 175.49, Std = 2.1300, ChiSquare = 2.4506e-01 1.F177 CA = 58.017(D), Expected = 58.25, Std = 2.7300, ChiSquare = 9.3199e-01 1.F177 CB = 37.881(D), Expected = 39.95, Std = 2.0400, ChiSquare = 3.1048e-01 1.F177 H = 8.723(D), Expected = 8.42, Std = 0.7400, ChiSquare = 6.8220e-01 1.F177 N = 126.808(D), Expected = 120.69, Std = 4.1800, ChiSquare = 1.4329e-01 1.G178 C = 170.091(D), Expected = 174.04, Std = 1.9400, ChiSquare = 4.1794e-02 1.G178 CA = 44.274(D), Expected = 45.33, Std = 1.4200, ChiSquare = 4.5708e-01 1.G178 H = 8.315(D), Expected = 8.34, Std = 0.7400, ChiSquare = 9.7305e-01 1.G178 N = 107.746(D), Expected = 109.91, Std = 4.2900, ChiSquare = 6.1396e-01 1.D179 C = 174.779(D), Expected = 176.41, Std = 1.7700, ChiSquare = 3.5681e-01 1.D179 CA = 53.363(D), Expected = 54.52, Std = 2.1000, ChiSquare = 5.8167e-01 1.D179 CB = 42.683(D), Expected = 40.70, Std = 1.6700, ChiSquare = 2.3506e-01 1.D179 H = 8.017(D), Expected = 8.33, Std = 0.5700, ChiSquare = 5.8292e-01 1.D179 N = 118.605(D), Expected = 120.73, Std = 4.2000, ChiSquare = 6.1289e-01 1.I180 C = 175.264(D), Expected = 175.82, Std = 1.9500, ChiSquare = 7.7555e-01 1.I180 CA = 60.523(D), Expected = 61.59, Std = 2.7800, ChiSquare = 7.0112e-01 1.I180 CB = 40.002(D), Expected = 38.58, Std = 2.0900, ChiSquare = 4.9626e-01 1.I180 H = 8.359(D), Expected = 8.26, Std = 0.7100, ChiSquare = 8.8911e-01 1.I180 N = 124.622(D), Expected = 121.60, Std = 4.7200, ChiSquare = 5.2201e-01 1.K181 C = 174.456(D), Expected = 176.46, Std = 2.0500, ChiSquare = 3.2829e-01 1.K181 CA = 53.965(D), Expected = 56.84, Std = 2.2500, ChiSquare = 2.0133e-01 1.K181 CB = 35.595(D), Expected = 32.83, Std = 1.8800, ChiSquare = 1.4136e-01 1.K181 H = 8.771(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.8927e-01 1.K181 N = 128.058(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.3280e-02 1.E182 C = 176.003(D), Expected = 176.93, Std = 2.1100, ChiSquare = 6.6042e-01 1.E182 CA = 55.558(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.9520e-01 1.E182 CB = 29.366(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.0201e-01 1.E182 H = 8.244(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.7495e-01 1.E182 N = 122.433(D), Expected = 120.68, Std = 3.6800, ChiSquare = 6.3382e-01 1.I183 C = 173.070(D), Expected = 175.82, Std = 1.9500, ChiSquare = 1.5846e-01 1.I183 CA = 59.053(D), Expected = 61.59, Std = 2.7800, ChiSquare = 3.6146e-01 1.I183 CB = 41.666(D), Expected = 38.58, Std = 2.0900, ChiSquare = 1.3979e-01 1.I183 H = 9.085(D), Expected = 8.26, Std = 0.7100, ChiSquare = 2.4525e-01 1.I183 N = 125.011(D), Expected = 121.60, Std = 4.7200, ChiSquare = 4.6988e-01 1.S184 C = 174.363(D), Expected = 174.53, Std = 1.7300, ChiSquare = 9.2310e-01 1.S184 CA = 55.107(D), Expected = 58.57, Std = 2.1200, ChiSquare = 1.0237e-01 1.S184 CB = 66.265(D), Expected = 63.80, Std = 1.5700, ChiSquare = 1.1640e-01 1.S184 H = 7.883(D), Expected = 8.29, Std = 0.6200, ChiSquare = 5.1153e-01 1.S184 N = 117.120(D), Expected = 116.30, Std = 3.9500, ChiSquare = 8.3555e-01 1.I185 C = 174.708(D), Expected = 175.82, Std = 1.9500, ChiSquare = 5.6850e-01 1.I185 CA = 59.044(D), Expected = 61.59, Std = 2.7800, ChiSquare = 3.5976e-01 1.I185 CB = 39.221(D), Expected = 38.58, Std = 2.0900, ChiSquare = 7.5907e-01 1.I185 H = 8.378(D), Expected = 8.26, Std = 0.7100, ChiSquare = 8.6800e-01 1.I185 N = 115.011(D), Expected = 121.60, Std = 4.7200, ChiSquare = 1.6272e-01 1.Y186 C = 174.109(D), Expected = 175.39, Std = 1.8900, ChiSquare = 4.9791e-01 1.Y186 CA = 57.932(D), Expected = 58.02, Std = 2.6400, ChiSquare = 9.7341e-01 1.Y186 CB = 40.778(D), Expected = 39.16, Std = 2.2300, ChiSquare = 4.6811e-01 1.Y186 H = 7.772(D), Expected = 8.37, Std = 0.7500, ChiSquare = 4.2526e-01 1.Y186 N = 119.246(D), Expected = 120.79, Std = 4.6900, ChiSquare = 7.4200e-01 1.N187 C = 173.994(D), Expected = 175.16, Std = 1.7600, ChiSquare = 5.0765e-01 1.N187 CA = 53.797(D), Expected = 53.43, Std = 1.9400, ChiSquare = 8.4996e-01 1.N187 CB = 37.566(D), Expected = 38.66, Std = 1.7800, ChiSquare = 5.3881e-01 1.N187 H = 7.255(D), Expected = 8.37, Std = 0.6500, ChiSquare = 8.6275e-02 1.N187 N = 121.730(D), Expected = 119.13, Std = 4.4200, ChiSquare = 5.5637e-01 1.K188 C = 175.583(D), Expected = 176.46, Std = 2.0500, ChiSquare = 6.6879e-01 1.K188 CA = 54.038(D), Expected = 56.84, Std = 2.2500, ChiSquare = 2.1301e-01 1.K188 CB = 34.806(D), Expected = 32.83, Std = 1.8800, ChiSquare = 2.9323e-01 1.K188 H = 6.453(D), Expected = 8.22, Std = 0.6400, ChiSquare = 5.7636e-03 1.K188 N = 116.803(D), Expected = 121.16, Std = 4.1100, ChiSquare = 2.8910e-01 1.G189 C = 172.377(D), Expected = 174.04, Std = 1.9400, ChiSquare = 3.9133e-01 1.G189 CA = 46.220(D), Expected = 45.33, Std = 1.4200, ChiSquare = 5.3082e-01 1.G189 H = 8.352(D), Expected = 8.34, Std = 0.7400, ChiSquare = 9.8706e-01 1.G189 N = 107.776(D), Expected = 109.91, Std = 4.2900, ChiSquare = 6.1888e-01 1.L190 C = 176.812(D), Expected = 176.97, Std = 2.0900, ChiSquare = 9.3974e-01 1.L190 CA = 52.762(D), Expected = 55.65, Std = 2.2100, ChiSquare = 1.9128e-01 1.L190 CB = 45.600(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.2465e-02 1.L190 H = 7.867(D), Expected = 8.22, Std = 0.6500, ChiSquare = 5.8708e-01 1.L190 N = 123.214(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.6174e-01 1.M191 C = 179.606(D), Expected = 176.30, Std = 2.1300, ChiSquare = 1.2064e-01 1.M191 CA = 52.529(D), Expected = 56.16, Std = 2.3400, ChiSquare = 1.2073e-01 1.M191 CB = 30.350(D), Expected = 32.90, Std = 2.2300, ChiSquare = 2.5283e-01 1.M191 H = 9.752(D), Expected = 8.26, Std = 0.6000, ChiSquare = 1.2895e-02 1.M191 N = 120.558(D), Expected = 120.10, Std = 3.8800, ChiSquare = 9.0604e-01 1.A192 C = 179.167(D), Expected = 177.80, Std = 2.1800, ChiSquare = 5.3062e-01 1.A192 CA = 55.172(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.2872e-01 1.A192 CB = 18.091(D), Expected = 18.90, Std = 1.8500, ChiSquare = 6.6190e-01 1.A192 H = 8.607(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.9756e-01 1.A192 N = 121.392(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.1936e-01 1.W193 C = 176.996(D), Expected = 176.10, Std = 1.8900, ChiSquare = 6.3545e-01 1.W193 CA = 61.181(D), Expected = 57.71, Std = 2.6500, ChiSquare = 1.9026e-01 1.W193 CB = 26.370(D), Expected = 30.16, Std = 2.1900, ChiSquare = 8.3524e-02 1.W193 H = 6.344(D), Expected = 8.35, Std = 0.8400, ChiSquare = 1.6936e-02 1.W193 N = 110.402(D), Expected = 121.87, Std = 4.5800, ChiSquare = 1.2282e-02 1.T194 C = 176.152(D), Expected = 174.60, Std = 1.8000, ChiSquare = 3.8857e-01 1.T194 CA = 64.292(D), Expected = 62.15, Std = 2.7200, ChiSquare = 4.3099e-01 1.T194 CB = 66.665(D), Expected = 69.64, Std = 1.7000, ChiSquare = 8.0118e-02 1.T194 H = 6.399(D), Expected = 8.27, Std = 0.6200, ChiSquare = 2.5467e-03 1.T194 N = 126.503(D), Expected = 115.70, Std = 5.0500, ChiSquare = 3.2419e-02 1.V195 C = 177.782(D), Expected = 175.69, Std = 2.0300, ChiSquare = 3.0276e-01 1.V195 CA = 67.464(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.0111e-01 1.V195 CB = 31.179(D), Expected = 32.66, Std = 1.9100, ChiSquare = 4.3811e-01 1.V195 H = 7.365(D), Expected = 8.29, Std = 0.7100, ChiSquare = 1.9264e-01 1.V195 N = 121.600(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.0691e-01 1.C196 C = 176.280(D), Expected = 174.78, Std = 1.9900, ChiSquare = 4.5099e-01 1.C196 CA = 64.725(D), Expected = 57.43, Std = 3.4100, ChiSquare = 3.2412e-02 1.C196 CB = 26.449(D), Expected = 34.15, Std = 6.7700, ChiSquare = 2.5532e-01 1.C196 H = 8.252(D), Expected = 8.42, Std = 0.6600, ChiSquare = 7.9907e-01 1.C196 N = 114.855(D), Expected = 119.95, Std = 4.7900, ChiSquare = 2.8748e-01 1.G197 C = 175.771(D), Expected = 174.04, Std = 1.9400, ChiSquare = 3.7225e-01 1.G197 CA = 47.196(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.8882e-01 1.G197 H = 8.299(D), Expected = 8.34, Std = 0.7400, ChiSquare = 9.5582e-01 1.G197 N = 108.761(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.8883e-01 1.I198 C = 178.197(D), Expected = 175.82, Std = 1.9500, ChiSquare = 2.2285e-01 1.I198 CA = 65.807(D), Expected = 61.59, Std = 2.7800, ChiSquare = 1.2929e-01 1.I198 CB = 36.945(D), Expected = 38.58, Std = 2.0900, ChiSquare = 4.3404e-01 1.I198 H = 8.480(D), Expected = 8.26, Std = 0.7100, ChiSquare = 7.5667e-01 1.I198 N = 124.492(D), Expected = 121.60, Std = 4.7200, ChiSquare = 5.4007e-01 1.I199 C = 177.108(D), Expected = 175.82, Std = 1.9500, ChiSquare = 5.0892e-01 1.I199 CA = 65.672(D), Expected = 61.59, Std = 2.7800, ChiSquare = 1.4201e-01 1.I199 CB = 42.074(D), Expected = 38.58, Std = 2.0900, ChiSquare = 9.4570e-02 1.I199 H = 8.111(D), Expected = 8.26, Std = 0.7100, ChiSquare = 8.3378e-01 1.I199 N = 122.511(D), Expected = 121.60, Std = 4.7200, ChiSquare = 8.4695e-01 1.C200 C = 177.615(D), Expected = 174.78, Std = 1.9900, ChiSquare = 1.5427e-01 1.C200 CA = 65.484(D), Expected = 57.43, Std = 3.4100, ChiSquare = 1.8183e-02 1.C200 CB = 26.442(D), Expected = 34.15, Std = 6.7700, ChiSquare = 2.5489e-01 1.C200 H = 8.162(D), Expected = 8.42, Std = 0.6600, ChiSquare = 6.9586e-01 1.C200 N = 115.221(D), Expected = 119.95, Std = 4.7900, ChiSquare = 3.2351e-01 1.Y201 C = 176.016(D), Expected = 175.39, Std = 1.8900, ChiSquare = 7.4048e-01 1.Y201 CA = 61.423(D), Expected = 58.02, Std = 2.6400, ChiSquare = 1.9739e-01 1.Y201 CB = 38.166(D), Expected = 39.16, Std = 2.2300, ChiSquare = 6.5578e-01 1.Y201 H = 8.537(D), Expected = 8.37, Std = 0.7500, ChiSquare = 8.2379e-01 1.Y201 N = 124.563(D), Expected = 120.79, Std = 4.6900, ChiSquare = 4.2112e-01 1.S202 C = 175.121(D), Expected = 174.53, Std = 1.7300, ChiSquare = 7.3264e-01 1.S202 CA = 60.723(D), Expected = 58.57, Std = 2.1200, ChiSquare = 3.0984e-01 1.S202 CB = 62.322(D), Expected = 63.80, Std = 1.5700, ChiSquare = 3.4650e-01 1.S202 H = 8.158(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.3140e-01 1.S202 N = 116.652(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.2899e-01 1.L203 C = 177.953(D), Expected = 176.97, Std = 2.0900, ChiSquare = 6.3812e-01 1.L203 CA = 55.247(D), Expected = 55.65, Std = 2.2100, ChiSquare = 8.5531e-01 1.L203 CB = 41.981(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.3434e-01 1.L203 H = 7.522(D), Expected = 8.22, Std = 0.6500, ChiSquare = 2.8289e-01 1.L203 N = 115.167(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.4139e-02 1.S204 C = 171.754(D), Expected = 174.53, Std = 1.7300, ChiSquare = 1.0858e-01 1.S204 CA = 61.667(D), Expected = 58.57, Std = 2.1200, ChiSquare = 1.4406e-01 1.S204 CB = 64.871(D), Expected = 63.80, Std = 1.5700, ChiSquare = 4.9513e-01 1.S204 H = 7.245(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.1895e-02 1.S204 N = 113.233(D), Expected = 116.30, Std = 3.9500, ChiSquare = 4.3748e-01 1.F205 C = 179.888(D), Expected = 175.49, Std = 2.1300, ChiSquare = 3.8943e-02 1.F205 CA = 58.742(D), Expected = 58.25, Std = 2.7300, ChiSquare = 8.5698e-01 1.F205 CB = 40.877(D), Expected = 39.95, Std = 2.0400, ChiSquare = 6.4953e-01 1.F205 H = 6.862(D), Expected = 8.42, Std = 0.7400, ChiSquare = 3.5256e-02 1.F205 N = 122.589(D), Expected = 120.69, Std = 4.1800, ChiSquare = 6.4961e-01