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.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 C 0.14 K 0.14 R 0.14 H 0.14 W 0.09 E 0.07 Q 0.05 HN Overlap>> 1.V216 1.V216 C Shift Assignments>> C :: 173.37 CA :: 55.019(D) CB :: 31.933(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.205(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.618(D) Ave N Shift Values>> N :: 120.09(3.57) 1.T21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 170.969 CA :: 61.321(D) CB :: 69.219(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.052(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.446(D) Ave N Shift Values>> N :: 115.42(4.75) 1.H22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 Q 0.15 R 0.14 C 0.12 W 0.12 K 0.1 E 0.1 M 0.07 C Shift Assignments>> CA :: 54.377(D) CB :: 29.794(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.424(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 125.234(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.186 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.054 Ave N Shift Values>> N :: 120.45(4.18) 1.S24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q26 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 F 0.2 D 0.16 N 0.14 C 0.13 L 0.08 I 0.03 C Shift Assignments>> CA :: 55.812 CB :: 39.237 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.17 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.001 Ave N Shift Values>> N :: 120.65(3.86) 1.N28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 C 0.14 Y 0.08 D 0.07 F 0.06 E 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 173.075 CA :: 53.403(D) CB :: 37.719(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.527 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 112.254 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.56 C 0.18 Y 0.12 F 0.1 C Shift Assignments>> C :: 173.605 CA :: 62.328 CB :: 38.097 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.713(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.323(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.203 CA :: 62.28 CB :: 61.743 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.316(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.734(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.44 P 0.38 C 0.11 I 0.04 W 0.01 C Shift Assignments>> C :: 174.653 CA :: 65.302(D) CB :: 31.188(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.018(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.573(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.63 A 0.32 I 0.01 C 0.01 C Shift Assignments>> C :: 176.822 CA :: 54.415(D) CB :: 16.734(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.657(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.091(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.78 A 0.14 I 0.04 C 0.01 HN Overlap>> 1.Q209 1.L203 1.Q209 1.L203 C Shift Assignments>> C :: 176.494 CA :: 55.556(D) CB :: 16.32(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.436(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.349(D) Ave N Shift Values>> N :: 123.23(3.54) 1.R34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.15 K 0.13 I 0.11 E 0.11 Q 0.1 H 0.08 R 0.07 M 0.01 L 0.01 V 0.01 C Shift Assignments>> C :: 176.028(D) CA :: 59.183(D) CB :: 28.79(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.841(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.635(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 P 0.21 C 0.11 I 0.07 C Shift Assignments>> CA :: 66.532(D) CB :: 30.98(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.42 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.543 Ave N Shift Values>> N :: 121.14(4.54) 1.L36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.29 L 0.2 K 0.14 F 0.11 Y 0.07 C 0.06 D 0.05 G 0.02 I 0.01 C Shift Assignments>> C :: 176.561 CA :: 57.466(D) CB :: 42.903(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.267(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 113.991(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.69 A 0.14 N 0.06 G 0.02 C 0.02 D 0.01 C Shift Assignments>> C :: 172.952(D) CA :: 48.978(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.895(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.995(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.51 A 0.43 I 0.02 C 0.02 HN Overlap>> 1.L205 1.L205 C Shift Assignments>> C :: 176.078 CA :: 54.745(D) CB :: 17.917(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.637(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.666(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.23 K 0.22 D 0.13 R 0.12 F 0.11 Y 0.08 C 0.05 N 0.01 HN Overlap>> 1.K188 1.K188 C Shift Assignments>> C :: 176.686 CA :: 56.215(D) CB :: 42.125(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.735(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.851(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.32 F 0.25 Y 0.24 C 0.15 L 0.01 C Shift Assignments>> C :: 173.268 CA :: 60.741(D) CB :: 39.969(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.825 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.251(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Y41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.25 I 0.2 C 0.14 K 0.05 L 0.03 D 0.01 C Shift Assignments>> CA :: 59.962(D) CB :: 40.651(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.274(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.731(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Y42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.2 Y 0.19 D 0.19 N 0.14 C 0.11 L 0.1 I 0.02 C Shift Assignments>> C :: 169.986(D) CA :: 55.72(D) CB :: 39.495(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.445(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.978(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.7 G 0.16 M 0.12 C 0.01 C Shift Assignments>> C :: 175.401(D) CA :: 49.013(D) CB :: 15.923(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.543(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.463(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.3 V 0.24 P 0.2 C 0.19 W 0.03 C Shift Assignments>> C :: 173.79(D) CA :: 64.434(D) CB :: 29.828(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.E45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 R 0.15 L 0.13 C 0.11 K 0.11 H 0.11 W 0.09 E 0.07 M 0.01 I 0.01 C Shift Assignments>> C :: 174.614(D) CA :: 55.178(D) CB :: 27.983(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.339(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.769(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S178 1.S178 C Shift Assignments>> C :: 171.2(D) CA :: 58.292(D) CB :: 64.702(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.812(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.625(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.53 A 0.43 I 0.01 C 0.01 C Shift Assignments>> C :: 177.345(D) CA :: 54.05(D) CB :: 17.141(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.739(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.548(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.2 C 0.19 R 0.13 W 0.11 Q 0.08 K 0.07 E 0.07 H 0.06 L 0.03 C Shift Assignments>> C :: 174.654(D) CA :: 59.43(D) CB :: 27.731(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.647(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.452(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 L 0.03 C 0.03 M 0.02 C Shift Assignments>> C :: 175.811(D) CA :: 52.101(D) CB :: 20.442(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.209(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.383(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.59 I 0.36 C 0.02 A 0.01 C Shift Assignments>> C :: 175.116(D) CA :: 56.992(D) CB :: 14.634(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.688(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.321(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.41 P 0.33 C 0.13 I 0.1 W 0.01 C Shift Assignments>> CA :: 65.328(D) CB :: 30.688(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.L52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.21 D 0.2 Y 0.19 L 0.14 C 0.1 N 0.07 K 0.02 I 0.02 C Shift Assignments>> C :: 176.212 CA :: 56.146(D) CB :: 40.159(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.239(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.06(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.52 P 0.24 C 0.12 I 0.09 HN Overlap>> 1.L123 1.L123 C Shift Assignments>> C :: 176.51(D) CA :: 66.233(D) CB :: 30.788(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.974(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.48(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.63 A 0.33 I 0.02 C 0.01 HN Overlap>> 1.Q211 1.Q211 C Shift Assignments>> C :: 176.998(D) CA :: 54.412(D) CB :: 16.768(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.328(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.697(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.45 P 0.33 C 0.12 I 0.07 W 0.01 HN Overlap>> 1.L72 1.L72 C Shift Assignments>> C :: 175.505(D) CA :: 65.547(D) CB :: 30.915(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.216(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.698(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.22 F 0.2 Y 0.18 L 0.14 C 0.1 N 0.09 K 0.02 I 0.02 C Shift Assignments>> C :: 174.033(D) CA :: 55.853(D) CB :: 40.091(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.24(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.685(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 170.281(D) CA :: 60.854(D) CB :: 68.608(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.336(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 105.263(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 169.817 CA :: 56.819(D) CB :: 65.234(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.492(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.43(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.25 L 0.18 F 0.16 Y 0.14 N 0.08 C 0.08 K 0.06 I 0.01 C Shift Assignments>> C :: 175.899 CA :: 55.537(D) CB :: 40.552(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.38(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.13(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.526 CA :: 45.725(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.209(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.208(D) Ave N Shift Values>> N :: 109.67(3.87) 1.W61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.21 C 0.15 L 0.12 Q 0.11 W 0.09 I 0.07 H 0.07 K 0.06 E 0.06 C Shift Assignments>> C :: 175.382 CA :: 57.717(D) CB :: 27.283(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.451(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.381(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.31 C 0.2 L 0.18 R 0.11 I 0.06 Q 0.03 W 0.03 H 0.02 E 0.01 C Shift Assignments>> C :: 174.531 CA :: 58.079(D) CB :: 25.465(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.531(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.925(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.807 CA :: 63.295(D) CB :: 68.552(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.283(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.522(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 Q 0.16 K 0.13 R 0.12 C 0.12 W 0.11 E 0.09 M 0.05 L 0.01 C Shift Assignments>> C :: 172.214 CA :: 54.34(D) CB :: 29.363(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.489(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.38(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.15 Q 0.13 C 0.12 W 0.12 E 0.1 M 0.09 K 0.07 C Shift Assignments>> C :: 173.767 CA :: 54.486(D) CB :: 30.23(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.522(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.907(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.6 C 0.22 W 0.06 V 0.02 R 0.02 K 0.01 E 0.01 H 0.01 Q 0.01 C Shift Assignments>> C :: 172.231 CA :: 62.623(D) CB :: 28.091(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.L67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.06 C 0.01 C Shift Assignments>> C :: 170.745 CA :: 52.189(D) CB :: 45.367(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.655(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.766(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.31 P 0.28 C 0.2 W 0.06 I 0.03 R 0.02 E 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 175.544 CA :: 62.181(D) CB :: 31.422(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.E69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 I 0.17 W 0.15 K 0.11 E 0.1 Q 0.08 H 0.07 R 0.06 V 0.01 M 0.01 C Shift Assignments>> C :: 176.357 CA :: 59.726(D) CB :: 28.713(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.856(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.803(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.54 A 0.41 I 0.02 C 0.01 C Shift Assignments>> C :: 177.805 CA :: 54.429(D) CB :: 17.457(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.81(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.487(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 59.929(D) CB :: 62.637(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.373(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.766(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.25 D 0.23 K 0.18 F 0.09 Y 0.06 R 0.05 C 0.05 N 0.04 HN Overlap>> 1.V55 1.V55 C Shift Assignments>> C :: 175.546 CA :: 55.015(D) CB :: 41.738(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.182(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.615 Ave N Shift Values>> N :: 121.86(3.9) 1.A73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.72 I 0.22 A 0.03 C 0.02 C Shift Assignments>> C :: 174.169 CA :: 56.665(D) CB :: 14.954(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.595(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.333(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.31 P 0.27 I 0.2 C 0.16 W 0.02 C Shift Assignments>> C :: 176.907 CA :: 64.752(D) CB :: 30.152(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.L75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 Y 0.21 D 0.18 L 0.11 C 0.11 N 0.09 I 0.03 K 0.01 C Shift Assignments>> C :: 175.236(D) CA :: 56.125(D) CB :: 39.797(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.386(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.843(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.6 P 0.24 C 0.1 I 0.03 C Shift Assignments>> C :: 176.869(D) CA :: 66.422(D) CB :: 31.353(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.937(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.25(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.029(D) CA :: 64.736(D) CB :: 68.068(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.214(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.051(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.56 A 0.35 I 0.04 C 0.03 C Shift Assignments>> C :: 177.58(D) CA :: 55.405(D) CB :: 18.161(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.539(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.042(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.38 F 0.22 Y 0.21 C 0.15 C Shift Assignments>> C :: 174.308(D) CA :: 61.178(D) CB :: 39.886(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.453(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.022(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Q80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.14 H 0.12 R 0.12 C 0.11 W 0.1 E 0.09 L 0.08 M 0.02 I 0.01 C Shift Assignments>> C :: 173.456(D) CA :: 55.509(D) CB :: 28.301(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.137(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 113.79(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 170.807 CA :: 63.909(D) CB :: 68.996(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.49(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.091(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.15 H 0.14 C 0.11 W 0.11 E 0.1 R 0.09 L 0.04 M 0.03 I 0.01 C Shift Assignments>> C :: 172.471(D) CA :: 55.444(D) CB :: 28.672(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.744(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 127.163(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 K 0.14 H 0.13 E 0.13 W 0.13 C 0.11 R 0.11 M 0.03 I 0.01 L 0.01 C Shift Assignments>> C :: 170.599(D) CA :: 56.792(D) CB :: 29.273(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.401(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.132(D) Ave N Shift Values>> N :: 120.17(4.64) 1.E84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 W 0.14 K 0.14 E 0.12 Q 0.12 H 0.1 R 0.08 I 0.07 M 0.01 L 0.01 C Shift Assignments>> C :: 174.275 CA :: 58.448(D) CB :: 28.889(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.765(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.512(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 C 0.12 W 0.12 E 0.11 Q 0.1 M 0.1 K 0.08 C Shift Assignments>> C :: 174.002(D) CA :: 55.762(D) CB :: 30.816(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.963(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.555(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.226(D) CA :: 61.157(D) CB :: 70.34(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.713(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.091(D) Ave N Shift Values>> N :: 115.42(4.75) 1.H87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.16 I 0.12 E 0.11 K 0.11 Q 0.08 H 0.08 R 0.07 V 0.01 M 0.01 C Shift Assignments>> C :: 175.148(D) CA :: 59.602(D) CB :: 29.178(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.569(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.107(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.52 A 0.41 I 0.03 C 0.02 C Shift Assignments>> C :: 178.398(D) CA :: 54.933(D) CB :: 18.04(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.786(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.627(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 W 0.12 K 0.12 R 0.12 Q 0.12 E 0.09 I 0.09 H 0.08 L 0.04 M 0.01 HN Overlap>> 1.L169 1.L169 C Shift Assignments>> C :: 176.742(D) CA :: 58.31(D) CB :: 28.11(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.014(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.503(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.6 A 0.34 I 0.02 C 0.01 C Shift Assignments>> C :: 175.782(D) CA :: 54.622(D) CB :: 17.18(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.362(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.02(D) Ave N Shift Values>> N :: 123.23(3.54) 1.W91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.23 C 0.21 W 0.14 K 0.09 E 0.08 Q 0.06 H 0.06 R 0.05 V 0.01 P 0.01 HN Overlap>> 1.F222 1.F222 C Shift Assignments>> C :: 175.186(D) CA :: 60.315(D) CB :: 28.722(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.799(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.527(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.19 C 0.16 Q 0.11 W 0.1 L 0.09 I 0.09 K 0.07 H 0.07 E 0.07 C Shift Assignments>> C :: 175.575(D) CA :: 58.039(D) CB :: 27.461(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.74(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.968(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 W 0.14 E 0.13 H 0.13 K 0.11 C 0.11 R 0.09 I 0.05 M 0.02 V 0.01 C Shift Assignments>> CB :: 29.466 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.413 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 114.373 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CB :: 44.764 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.317 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.613 Ave N Shift Values>> N :: 121.86(3.9) 1.F95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> E 0.4 C 0.22 I 0.08 M 0.06 Y 0.05 N 0.05 K 0.02 F 0.02 V 0.02 Q 0.01 C Shift Assignments>> CB :: 36.086 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.42(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.129 Ave N Shift Values>> N :: 120.45(4.18) 1.V96 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G97 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.49 P 0.32 C 0.15 W 0.01 C Shift Assignments>> C :: 173.833(D) CA :: 63.592(D) CB :: 33.026(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.W99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 R 0.14 K 0.12 C 0.12 H 0.11 L 0.1 W 0.1 E 0.08 I 0.02 M 0.01 C Shift Assignments>> C :: 173.021(D) CA :: 55.96(D) CB :: 28.056(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.259(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.464(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.72 M 0.26 C 0.01 C Shift Assignments>> C :: 175.328(D) CA :: 52.399(D) CB :: 17.483(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.348(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.496(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.59 D 0.16 C 0.08 F 0.05 Y 0.04 L 0.03 C Shift Assignments>> C :: 174.16(D) CA :: 52.344 CB :: 38.776(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.532(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.334(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.44 V 0.33 C 0.13 I 0.04 W 0.02 C Shift Assignments>> C :: 174.71(D) CA :: 63.7(D) CB :: 31.246(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.S103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.97 P 0.01 C Shift Assignments>> C :: 169.359(D) CA :: 54.069(D) CB :: 62.808(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.262(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 109.946(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P104 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 174.044 CA :: 46.386 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.S108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.297(D) CA :: 60.906(D) CB :: 61.944(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.893 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.711 Ave N Shift Values>> N :: 116.28(3.52) 1.V109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.34 V 0.25 C 0.19 P 0.17 W 0.03 C Shift Assignments>> C :: 172.773 CA :: 64.823(D) CB :: 29.723(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.273(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.355(D) Ave N Shift Values>> N :: 121.14(4.54) 1.W110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.14 W 0.14 Q 0.13 H 0.13 C 0.12 R 0.12 K 0.12 M 0.04 I 0.02 HN Overlap>> 1.L117 1.L152 1.L117 1.L152 C Shift Assignments>> C :: 174.757 CA :: 57.259(D) CB :: 29.63(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.107(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.45(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 R 0.2 D 0.17 K 0.13 F 0.06 C 0.04 Y 0.04 G 0.01 N 0.01 C Shift Assignments>> C :: 174.81 CA :: 54.94(D) CB :: 42.693(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.684(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.386(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 G 0.24 R 0.19 D 0.12 C 0.04 F 0.02 Y 0.01 K 0.01 HN Overlap>> 1.E131 1.E131 C Shift Assignments>> C :: 174.309 CA :: 53.291(D) CB :: 43.894(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.365(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.034(D) Ave N Shift Values>> N :: 120.65(3.86) 1.R113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.14 W 0.14 E 0.13 Q 0.13 C 0.13 H 0.11 R 0.09 I 0.04 M 0.02 C Shift Assignments>> C :: 174.683 CA :: 57.786(D) CB :: 29.123 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.171(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.328(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.15 H 0.14 W 0.12 C 0.11 E 0.11 R 0.1 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 173.739(D) CA :: 55.68(D) CB :: 28.924(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.764(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.597(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 170.448(D) CA :: 58.474(D) CB :: 61.401(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.331(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.21(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.L174 1.L174 H Shift Assignments>> H :: 8.219 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.418 Ave N Shift Values>> N :: 121.14(4.54) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.28 C 0.14 D 0.08 I 0.07 L 0.06 N 0.03 HN Overlap>> 1.L152 1.W110 1.L152 1.W110 C Shift Assignments>> CA :: 57.377 CB :: 39.486 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.155 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.433 Ave N Shift Values>> N :: 121.86(3.9) 1.F118 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.43 P 0.31 C 0.17 W 0.02 K 0.01 C Shift Assignments>> C :: 173.109(D) CA :: 62.779(D) CB :: 32.743(S) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.522 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.903 Ave N Shift Values>> N :: 120.45(4.18) 1.G119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 G 0.27 R 0.26 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 170.059(D) CA :: 44.038(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.26(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.799(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.28 C 0.15 I 0.09 D 0.06 L 0.05 N 0.02 C Shift Assignments>> C :: 177.988 CA :: 57.577 CB :: 39.286 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.873(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.331(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.21 T 0.16 V 0.15 C 0.11 F 0.07 Y 0.07 W 0.05 P 0.03 E 0.02 R 0.01 K 0.01 H 0.01 S 0.01 Q 0.01 C Shift Assignments>> C :: 175.346 CB :: 60.914 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.108(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.048(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.426 CA :: 66.032(D) CB :: 67.09(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.31(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 125.539(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.27 C 0.15 I 0.08 D 0.07 L 0.05 N 0.03 HN Overlap>> 1.V53 1.V53 C Shift Assignments>> C :: 177.028 CA :: 57.417 CB :: 39.265(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.451(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.62 A 0.33 I 0.02 C 0.01 HN Overlap>> 1.V218 1.V218 1.W128 1.W128 C Shift Assignments>> C :: 178.691 CA :: 54.617(D) CB :: 17.02(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.141(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.374(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.28 C 0.15 I 0.09 D 0.07 L 0.05 N 0.02 C Shift Assignments>> C :: 175.063 CA :: 57.555(D) CB :: 39.346(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.783(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.845(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.17 E 0.12 R 0.09 H 0.09 Q 0.08 K 0.08 I 0.07 V 0.03 M 0.02 C Shift Assignments>> C :: 176.537 CA :: 59.59(D) CB :: 29.859(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.477(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.361(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.19 C 0.17 I 0.12 Q 0.1 W 0.09 L 0.09 H 0.06 E 0.06 K 0.06 C Shift Assignments>> C :: 175.225 CA :: 58.391(D) CB :: 27.301(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.518(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.257(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.4 C 0.19 P 0.16 W 0.07 R 0.05 K 0.02 E 0.02 Q 0.02 H 0.02 HN Overlap>> 1.V218 1.A124 1.V218 1.A124 C Shift Assignments>> C :: 174.781 CA :: 61.347(D) CB :: 27.566(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.081(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.363(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.M129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 V 0.18 K 0.13 M 0.08 W 0.07 Q 0.07 R 0.06 H 0.05 E 0.03 P 0.01 C Shift Assignments>> C :: 175.897 CA :: 59.714(D) CB :: 32.853(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.949(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.922(D) Ave N Shift Values>> N :: 120.09(3.57) 1.R130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 W 0.15 K 0.14 E 0.12 Q 0.11 H 0.1 R 0.08 I 0.07 M 0.01 L 0.01 HN Overlap>> 1.E168 1.E168 C Shift Assignments>> C :: 177.932 CA :: 58.551(D) CB :: 28.915(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.943(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.438(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.14 K 0.13 Q 0.12 E 0.11 I 0.09 H 0.09 R 0.08 L 0.02 M 0.01 HN Overlap>> 1.D112 1.D112 C Shift Assignments>> C :: 176.172 CA :: 58.603(D) CB :: 28.483(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.423(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.096(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.18 H 0.16 R 0.15 C 0.14 W 0.09 K 0.09 Q 0.08 E 0.06 C Shift Assignments>> C :: 174.416 CA :: 53.647(D) CB :: 31.255(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.645(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.931(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 172.504(D) CA :: 46.263(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.687(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.145(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.41 Y 0.2 C 0.19 F 0.16 E 0.01 C Shift Assignments>> C :: 172.053 CA :: 60.974(D) CB :: 38.335(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.27(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.191(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.14 H 0.14 C 0.12 R 0.1 W 0.1 L 0.08 E 0.07 M 0.03 C Shift Assignments>> C :: 171.001(D) CA :: 54.365(D) CB :: 28.447(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.302(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 128.102(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.23 L 0.12 D 0.11 C 0.11 K 0.06 I 0.05 N 0.01 C Shift Assignments>> C :: 170.637(D) CA :: 57.391(D) CB :: 40.525(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.837(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.001(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 Q 0.13 W 0.13 E 0.12 C 0.12 M 0.08 K 0.07 C Shift Assignments>> C :: 172.215(D) CA :: 55.637(D) CB :: 30.245(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.822(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.052(D) Ave N Shift Values>> N :: 120.67(3.48) 1.M138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 K 0.16 C 0.15 R 0.11 H 0.11 Q 0.1 W 0.06 E 0.04 C Shift Assignments>> CA :: 54.647 CB :: 32.552 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.339 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.834 Ave N Shift Values>> N :: 120.09(3.57) 1.K139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.19 K 0.18 C 0.16 Q 0.13 R 0.09 H 0.08 W 0.06 E 0.04 V 0.01 C Shift Assignments>> C :: 175.394 CA :: 56.292 CB :: 32.827 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) 1.Q140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 K 0.13 R 0.13 C 0.12 W 0.11 H 0.11 E 0.09 L 0.07 I 0.03 M 0.01 C Shift Assignments>> C :: 173.968 CA :: 56.668 CB :: 28.143 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.527(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.481(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 C 0.21 E 0.16 Y 0.09 M 0.08 F 0.06 D 0.02 K 0.01 C Shift Assignments>> C :: 171.235 CA :: 54.292 CB :: 36.905 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.97 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.331 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.15 C 0.15 Q 0.13 W 0.11 M 0.1 E 0.07 K 0.06 C Shift Assignments>> C :: 171.63 CA :: 53.266 CB :: 30.179 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.535(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.843(D) Ave N Shift Values>> N :: 120.67(3.48) 1.P143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.37 V 0.35 C 0.16 W 0.03 I 0.02 R 0.01 K 0.01 C Shift Assignments>> C :: 175.59(D) CA :: 62.754(D) CB :: 31.77(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.E144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.15 K 0.13 E 0.12 Q 0.11 I 0.09 H 0.09 R 0.07 M 0.01 L 0.01 C Shift Assignments>> C :: 173.219(D) CA :: 58.87(D) CB :: 28.821(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 10.26(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.412(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.6 D 0.18 C 0.07 F 0.04 L 0.04 Y 0.04 C Shift Assignments>> C :: 173.055(D) CA :: 51.967(D) CB :: 39.011(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.392(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.843(D) Ave N Shift Values>> N :: 120.65(3.86) 1.H146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.14 C 0.13 H 0.13 M 0.12 W 0.12 E 0.11 K 0.1 Q 0.08 V 0.01 HN Overlap>> 1.L212 1.L212 C Shift Assignments>> C :: 173.935(D) CA :: 56.748(D) CB :: 31.281(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 6.891(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.942(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F147 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G148 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L150 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.L151 1.L151 C Shift Assignments>> C :: 172.968 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.646 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.038 Ave N Shift Values>> N :: 121.86(3.9) 1.L151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 K 0.2 Y 0.17 L 0.14 C 0.09 D 0.08 I 0.03 R 0.02 HN Overlap>> 1.L150 1.L150 C Shift Assignments>> C :: 176.537(D) CA :: 57.731(D) CB :: 41.317(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.641 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.071 Ave N Shift Values>> N :: 121.86(3.9) 1.L152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.27 C 0.13 D 0.09 L 0.09 I 0.07 N 0.02 K 0.01 HN Overlap>> 1.L117 1.L117 1.W110 1.W110 C Shift Assignments>> C :: 177.434 CA :: 57.578 CB :: 39.996(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.16(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.458(D) Ave N Shift Values>> N :: 121.86(3.9) 1.M153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 K 0.14 W 0.11 R 0.11 M 0.1 H 0.08 V 0.08 E 0.07 Q 0.04 HN Overlap>> 1.A154 1.A154 C Shift Assignments>> C :: 175.479(D) CA :: 58.717(D) CB :: 32.18 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.567(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.885(D) Ave N Shift Values>> N :: 120.09(3.57) 1.A154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.73 A 0.21 I 0.03 C 0.01 HN Overlap>> 1.M153 1.M153 C Shift Assignments>> C :: 176.783(D) CA :: 55.073 CB :: 16.532(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.456(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.893(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.45 I 0.02 C 0.02 C Shift Assignments>> C :: 175.999(D) CA :: 54.939(D) CB :: 18.252(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.187 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.66 Ave N Shift Values>> N :: 123.23(3.54) 1.W156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.34 C 0.21 W 0.1 P 0.06 R 0.06 K 0.05 E 0.04 Q 0.04 H 0.03 L 0.01 HN Overlap>> 1.L182 1.L182 C Shift Assignments>> C :: 176.832(D) CA :: 60.795(D) CB :: 28.032(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.857(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.803(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.23 L 0.12 C 0.11 D 0.1 K 0.08 I 0.05 N 0.01 C Shift Assignments>> C :: 176.429 CA :: 57.556(D) CB :: 40.622(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.013(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.542(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.48 A 0.44 I 0.03 C 0.02 C Shift Assignments>> C :: 179.198(D) CA :: 55.001(D) CB :: 18.323(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.452(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.15 C 0.14 W 0.13 Q 0.13 E 0.12 H 0.1 R 0.08 I 0.06 L 0.02 M 0.01 C Shift Assignments>> C :: 177.078(D) CA :: 58.052(D) CB :: 28.541(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.501(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.661(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.53 D 0.15 C 0.1 Y 0.07 F 0.07 L 0.03 M 0.01 C Shift Assignments>> C :: 171.785 CA :: 53.198(D) CB :: 38.575(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.125(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.51(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 172.314 CA :: 45.693(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.749(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.889(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.45 C 0.17 K 0.13 Q 0.08 H 0.05 W 0.04 R 0.01 E 0.01 C Shift Assignments>> C :: 173.331 CA :: 53.826(D) CB :: 26.244(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.968(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.897(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.19 C 0.17 I 0.12 Q 0.1 W 0.1 L 0.08 H 0.06 K 0.06 E 0.06 C Shift Assignments>> C :: 174.621 CA :: 58.528(D) CB :: 27.37(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.369(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.819(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.487 CA :: 66.174 CB :: 67.664 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.215 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.009 Ave N Shift Values>> N :: 115.42(4.75) 1.E165 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.3 C 0.21 W 0.11 K 0.06 R 0.06 E 0.05 Q 0.05 H 0.04 P 0.04 L 0.01 V 0.01 C Shift Assignments>> C :: 174.795 CA :: 60.541(D) CB :: 28.132(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.986 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.746 Ave N Shift Values>> N :: 120.67(3.48) 1.C166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.36 C 0.27 P 0.19 V 0.08 K 0.04 T 0.01 C Shift Assignments>> C :: 172.443 CA :: 62.794(D) CB :: 25(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.988(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.831(D) Ave N Shift Values>> N :: 120.17(4.64) 1.E167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.36 C 0.21 W 0.1 P 0.08 K 0.05 R 0.05 E 0.04 Q 0.03 H 0.03 V 0.01 C Shift Assignments>> C :: 174.783 CA :: 61.039(D) CB :: 28.148(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.649(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.369(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 C 0.15 E 0.13 K 0.12 Q 0.11 H 0.1 R 0.1 I 0.05 M 0.02 V 0.01 HN Overlap>> 1.R130 1.R130 C Shift Assignments>> C :: 175.205 CA :: 58.641(D) CB :: 29.388(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.992(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.459(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.25 C 0.12 L 0.1 I 0.07 D 0.07 K 0.06 HN Overlap>> 1.Q89 1.Q89 C Shift Assignments>> C :: 176.923 CA :: 58.044(D) CB :: 40.539(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.049(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.587(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L170 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.28 F 0.27 C 0.14 D 0.09 I 0.07 L 0.06 N 0.04 C Shift Assignments>> C :: 175.547 CA :: 57.124(D) CB :: 39.361(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.549(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.99(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.59 A 0.31 I 0.05 C 0.02 C Shift Assignments>> C :: 177.853 CA :: 55.495(D) CB :: 18.045(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.81(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.027(D) Ave N Shift Values>> N :: 123.23(3.54) 1.W172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 I 0.15 K 0.14 C 0.11 W 0.09 H 0.08 E 0.08 R 0.06 P 0.05 L 0.02 C Shift Assignments>> CB :: 28.448 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.298 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 112.247 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.H173 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 C 0.15 E 0.13 K 0.12 Q 0.11 H 0.1 R 0.09 I 0.05 M 0.02 V 0.01 C Shift Assignments>> C :: 174.587 CA :: 58.559(D) CB :: 29.327(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.682(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.107(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.28 L 0.27 K 0.11 D 0.09 F 0.08 C 0.05 Y 0.05 G 0.02 HN Overlap>> 1.V116 1.V116 C Shift Assignments>> C :: 175.459 CA :: 56.196 CB :: 42.99 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.217(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.43(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.29 C 0.14 I 0.09 D 0.07 L 0.06 N 0.01 C Shift Assignments>> C :: 173.33 CA :: 57.796 CB :: 39.731 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.081(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 111.014(D) Ave N Shift Values>> N :: 120.45(4.18) 1.P176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.44 P 0.25 C 0.2 W 0.02 K 0.01 R 0.01 C Shift Assignments>> C :: 173.936 CA :: 62.465 CB :: 32.883(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.W177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 R 0.14 K 0.13 H 0.12 C 0.11 L 0.11 W 0.09 E 0.07 M 0.02 I 0.01 C Shift Assignments>> C :: 173.622(D) CA :: 55.211(D) CB :: 28.128(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.505(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.597(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S178 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S46 1.S46 C Shift Assignments>> C :: 171.211(D) CA :: 62.553(D) CB :: 60.652(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.877(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.683(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 171.627(D) CA :: 66.004(D) CB :: 66.923(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.554(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.994(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 K 0.15 C 0.13 W 0.12 E 0.11 H 0.11 R 0.07 L 0.04 I 0.04 M 0.01 C Shift Assignments>> C :: 173.759(D) CA :: 57.279(D) CB :: 28.38(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.235(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.311(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F181 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.26 C 0.22 F 0.2 I 0.2 E 0.07 M 0.01 C Shift Assignments>> C :: 174.511(D) CA :: 58.993(D) CB :: 37.991(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.12(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.379(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L182 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 Y 0.19 D 0.16 L 0.15 C 0.09 K 0.07 N 0.03 I 0.03 HN Overlap>> 1.W156 1.W156 C Shift Assignments>> C :: 175.297(D) CA :: 56.754(D) CB :: 40.593(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.925(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.87(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D183 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.28 F 0.27 C 0.15 D 0.08 I 0.07 L 0.06 N 0.04 C Shift Assignments>> C :: 177.458(D) CA :: 57.145(D) CB :: 39.243(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.498(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.524(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V184 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.46 P 0.27 C 0.13 I 0.11 W 0.01 C Shift Assignments>> C :: 174.593(D) CA :: 65.827(D) CB :: 30.64(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.561(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.731(D) Ave N Shift Values>> N :: 121.14(4.54) 1.F185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.53 Y 0.15 C 0.15 F 0.14 C Shift Assignments>> C :: 173.99(D) CA :: 62.179(D) CB :: 39.221(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.54(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.497(D) Ave N Shift Values>> N :: 120.45(4.18) 1.I186 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.79 C 0.13 Y 0.02 F 0.02 C Shift Assignments>> C :: 175.199(D) CA :: 65.421(D) CB :: 38.394(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.859(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.469(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E187 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 C 0.14 K 0.14 E 0.13 Q 0.12 H 0.1 R 0.09 I 0.05 M 0.02 C Shift Assignments>> C :: 175.937(D) CA :: 58.332(D) CB :: 29.086(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.096(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.879(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K188 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 C 0.15 K 0.15 R 0.12 H 0.12 Q 0.08 W 0.07 E 0.04 HN Overlap>> 1.L39 1.L39 C Shift Assignments>> C :: 174.984(D) CA :: 54.502(D) CB :: 32.326(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.795(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.852(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A189 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.73 A 0.21 I 0.03 C 0.01 C Shift Assignments>> C :: 177.101(D) CA :: 55.064(D) CB :: 16.52(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.877(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.195(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E190 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.23 L 0.16 C 0.16 Q 0.11 W 0.08 I 0.07 H 0.06 E 0.05 K 0.04 C Shift Assignments>> C :: 172.232(D) CA :: 57.499(D) CB :: 27.015(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.894(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 110.734(D) Ave N Shift Values>> N :: 120.67(3.48) 1.H191 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 Q 0.22 C 0.17 K 0.17 H 0.05 R 0.05 W 0.02 E 0.02 C Shift Assignments>> C :: 171.967(D) CA :: 55.282(D) CB :: 33.829(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.359(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.222(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.39 V 0.37 C 0.12 I 0.07 W 0.01 C Shift Assignments>> C :: 176.048(D) CA :: 64.782(D) CB :: 30.855(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.F193 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.46 Y 0.18 F 0.17 C 0.16 C Shift Assignments>> C :: 173.917(D) CA :: 61.537(D) CB :: 39.064(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.413(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.823(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Y194 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.69 C 0.16 Y 0.06 F 0.05 V 0.01 C Shift Assignments>> C :: 174.666(D) CA :: 63.826(D) CB :: 38.016(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.134(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.007(D) Ave N Shift Values>> N :: 120.52(4.2) 1.R195 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.21 C 0.2 W 0.15 K 0.09 E 0.08 Q 0.07 H 0.06 R 0.05 V 0.01 P 0.01 C Shift Assignments>> C :: 174.923(D) CA :: 60.154(D) CB :: 28.691(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.783(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.195(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A196 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.75 A 0.19 I 0.03 C 0.01 C Shift Assignments>> C :: 175.814 CA :: 54.317(D) CB :: 15.088(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.209(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.024(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L197 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.21 F 0.2 L 0.16 Y 0.15 D 0.1 C 0.08 R 0.03 I 0.02 C Shift Assignments>> C :: 176.647(D) CA :: 57.342(D) CB :: 41.379(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.16(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G198 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 C 0.06 L 0.04 A 0.01 C Shift Assignments>> C :: 172.448(D) CA :: 47.14(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.493(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.169(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E199 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.16 I 0.12 E 0.11 K 0.11 Q 0.08 H 0.08 R 0.07 V 0.01 M 0.01 C Shift Assignments>> C :: 176.257(D) CA :: 59.634(D) CB :: 29.123(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.438(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.332(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L200 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.21 F 0.2 L 0.16 Y 0.15 D 0.1 C 0.08 R 0.03 I 0.02 C Shift Assignments>> C :: 178.391 CA :: 57.356(D) CB :: 41.397(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.228(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.17(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A201 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.58 A 0.36 I 0.02 C 0.01 C Shift Assignments>> C :: 175.038 CA :: 54.846(D) CB :: 17.593(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.07(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.216(D) Ave N Shift Values>> N :: 123.23(3.54) 1.R202 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.17 E 0.12 R 0.1 H 0.09 Q 0.07 I 0.06 K 0.06 V 0.05 M 0.02 C Shift Assignments>> C :: 176.81 CA :: 59.66(D) CB :: 30.101(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.01(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.32(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L203 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.33 L 0.23 K 0.1 F 0.1 C 0.06 Y 0.06 D 0.05 G 0.03 HN Overlap>> 1.A33 1.A33 C Shift Assignments>> C :: 177.344 CA :: 57.206(D) CB :: 43.149(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.422(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.384(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T204 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 171.908 CA :: 66.888(D) CB :: 68.209(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.13(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.803(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L205 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.24 C 0.23 I 0.18 F 0.17 E 0.12 M 0.01 HN Overlap>> 1.A38 1.A38 C Shift Assignments>> C :: 176.752 CA :: 58.866(D) CB :: 37.594(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.683(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.69(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A206 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.63 A 0.32 I 0.02 C 0.01 C Shift Assignments>> C :: 178.026(D) CA :: 54.57(D) CB :: 16.957(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.496(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.205(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q207 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.22 C 0.17 L 0.14 Q 0.1 I 0.1 W 0.08 H 0.06 E 0.05 K 0.04 C Shift Assignments>> C :: 177.298(D) CA :: 58.031(D) CB :: 26.97(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.192(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.11(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W208 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.14 Q 0.14 C 0.14 W 0.12 E 0.11 R 0.11 H 0.1 I 0.05 L 0.04 M 0.01 C Shift Assignments>> C :: 175.916 CA :: 57.698 CB :: 28.314(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.882(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.295(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q209 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.22 R 0.18 I 0.17 K 0.11 L 0.1 W 0.06 Q 0.05 H 0.03 E 0.02 HN Overlap>> 1.A33 1.A33 C Shift Assignments>> C :: 175.699(D) CA :: 59.031(D) CB :: 26.295(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.537(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.332 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S210 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.651 CA :: 60.14(D) CB :: 62.795(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.469(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.658(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q211 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 H 0.16 K 0.13 R 0.12 W 0.12 C 0.11 E 0.1 M 0.05 L 0.01 HN Overlap>> 1.A54 1.A54 C Shift Assignments>> C :: 172.984 CA :: 54.852(D) CB :: 29.383(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.423(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.699(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L212 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 K 0.19 D 0.17 R 0.13 F 0.09 Y 0.06 C 0.05 N 0.01 HN Overlap>> 1.H146 1.H146 C Shift Assignments>> C :: 175.267 CA :: 55.514(D) CB :: 42.255(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.868(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.952(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L213 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 K 0.21 D 0.15 R 0.12 F 0.1 Y 0.07 C 0.05 N 0.01 C Shift Assignments>> C :: 175.552 CA :: 55.978(D) CB :: 42.138(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 10.151(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.417(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I214 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.27 C 0.17 I 0.11 D 0.04 L 0.03 N 0.02 E 0.01 C Shift Assignments>> C :: 173.151 CA :: 57.779 CB :: 38.895 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.907(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 110.787(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P215 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.29 P 0.24 C 0.21 W 0.08 I 0.04 R 0.03 E 0.02 H 0.02 K 0.02 M 0.01 C Shift Assignments>> C :: 174.44 CA :: 61.938(D) CB :: 31.319(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.V216 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.31 P 0.3 C 0.19 W 0.06 I 0.03 R 0.02 E 0.01 K 0.01 H 0.01 HN Overlap>> 1.M20 1.M20 C Shift Assignments>> C :: 174.711 CA :: 62.269(D) CB :: 31.465 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.163(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.542(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A217 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.84 M 0.14 C 0.01 C Shift Assignments>> C :: 173.178 CA :: 51.905(D) CB :: 18.201(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.128(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.713(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V218 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.24 V 0.24 C 0.22 I 0.13 W 0.08 R 0.02 E 0.02 H 0.01 HN Overlap>> 1.A124 1.W128 1.A124 1.W128 C Shift Assignments>> C :: 173.514 CA :: 62.615(D) CB :: 30.468(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.106(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.397(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K219 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 C 0.26 Q 0.17 K 0.1 H 0.04 N 0.03 R 0.03 P 0.02 E 0.02 W 0.01 C Shift Assignments>> C :: 171.14 CA :: 52.247(D) CB :: 34.239(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.896(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.36(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P220 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.3 V 0.29 C 0.19 W 0.06 I 0.05 R 0.02 E 0.01 H 0.01 K 0.01 C Shift Assignments>> C :: 171.493(S) CA :: 62.432(D) CB :: 31.108(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.L221 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.51 L 0.24 R 0.09 D 0.07 C 0.03 F 0.01 C Shift Assignments>> C :: 176.468 CA :: 52.605(D) CB :: 44.316(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.802(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.217(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F222 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.3 C 0.15 I 0.13 L 0.04 D 0.03 HN Overlap>> 1.W91 1.W91 C Shift Assignments>> C :: 172.67 CA :: 58.49(D) CB :: 39.633(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.741(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.603(D) Ave N Shift Values>> N :: 120.45(4.18) 1.R223 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.17 K 0.14 C 0.14 R 0.14 H 0.12 W 0.1 E 0.08 Q 0.05 V 0.01 C Shift Assignments>> C :: 178.047 CA :: 56.308(D) CB :: 31.858(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.664(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.01(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) ########################################################################### Overall Results: #Consistent: 43 #Clerical: 178 #Suspicious: 1 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 189 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 33 Shift Relative Order (SRO) Results: #Consistent: 223 #Suspicious: 0 C Shift Results: #Consistent: 138 #Duplicate: 407 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 19 #Duplicate: 160 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 21 #Duplicate: 158 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M20 CA = 55.019(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.2467e-01 1.M20 CB = 31.933(D), Expected = 32.99, Std = 2.2400, ChiSquare = 6.3702e-01 1.M20 H = 8.205(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.2696e-01 1.M20 N = 121.618(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.6864e-01 1.T21 CA = 61.321(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.2851e-01 1.T21 CB = 69.219(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.5390e-01 1.T21 H = 8.052(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.6172e-01 1.T21 N = 116.446(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.2899e-01 1.H22 CA = 54.377(D), Expected = 56.52, Std = 2.3100, ChiSquare = 3.5356e-01 1.H22 CB = 29.794(D), Expected = 30.24, Std = 2.0700, ChiSquare = 8.2941e-01 1.H22 H = 8.424(D), Expected = 8.24, Std = 0.6800, ChiSquare = 7.8671e-01 1.H22 N = 125.234(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.6575e-01 1.N28 CA = 53.403(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.4191e-01 1.N28 CB = 37.719(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.6559e-01 1.F29 H = 7.713(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.6886e-01 1.F29 N = 120.323(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.7576e-01 1.S30 H = 8.316(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.5135e-01 1.S30 N = 112.734(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.1375e-01 1.V31 CA = 65.302(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.2550e-01 1.V31 CB = 31.188(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.8899e-01 1.V31 H = 7.018(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.7629e-02 1.V31 N = 121.573(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.2402e-01 1.A32 CA = 54.415(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.1961e-01 1.A32 CB = 16.734(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.1360e-01 1.A32 H = 7.657(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.6547e-01 1.A32 N = 121.091(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.4569e-01 1.A33 CA = 55.556(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.2239e-01 1.A33 CB = 16.32(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.4158e-01 1.A33 H = 8.436(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.9407e-01 1.A33 N = 118.349(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.6795e-01 1.R34 C = 176.028(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.5074e-01 1.R34 CA = 59.183(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.9621e-01 1.R34 CB = 28.79(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.9662e-01 1.R34 H = 7.841(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.1305e-01 1.R34 N = 116.635(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.5772e-01 1.V35 CA = 66.532(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.5757e-01 1.V35 CB = 30.98(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.2825e-01 1.L36 CA = 57.466(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.8612e-01 1.L36 CB = 42.903(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.5244e-01 1.L36 H = 8.267(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.5461e-01 1.L36 N = 113.991(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.3623e-02 1.G37 C = 172.952(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.2534e-01 1.G37 CA = 48.978(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.7800e-03 1.G37 H = 8.895(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.8472e-01 1.G37 N = 104.995(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.2704e-01 1.A38 CA = 54.745(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.1759e-01 1.A38 CB = 17.917(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.5033e-01 1.A38 H = 8.637(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.6641e-01 1.A38 N = 121.666(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.5863e-01 1.L39 CA = 56.215(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.7998e-01 1.L39 CB = 42.125(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.2161e-01 1.L39 H = 7.735(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.4634e-01 1.L39 N = 114.851(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.2307e-02 1.F40 CA = 60.741(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.0048e-01 1.F40 CB = 39.969(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.9198e-01 1.F40 N = 114.251(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.3807e-01 1.Y41 CA = 59.962(D), Expected = 58.13, Std = 2.5100, ChiSquare = 4.6546e-01 1.Y41 CB = 40.651(D), Expected = 39.32, Std = 2.1600, ChiSquare = 5.3776e-01 1.Y41 H = 8.274(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.4976e-01 1.Y41 N = 118.731(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.7014e-01 1.Y42 C = 169.986(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.5163e-03 1.Y42 CA = 55.72(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.3698e-01 1.Y42 CB = 39.495(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.3543e-01 1.Y42 H = 8.445(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.6404e-01 1.Y42 N = 115.978(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.7951e-01 1.A43 C = 175.401(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.7215e-01 1.A43 CA = 49.013(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.7129e-02 1.A43 CB = 15.923(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.1625e-02 1.A43 H = 7.543(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.7352e-01 1.A43 N = 122.463(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.2847e-01 1.P44 C = 173.79(D), Expected = 176.75, Std = 1.5100, ChiSquare = 4.9965e-02 1.P44 CA = 64.434(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.6765e-01 1.P44 CB = 29.828(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.6610e-02 1.E45 C = 174.614(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.4730e-01 1.E45 CA = 55.178(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.0542e-01 1.E45 CB = 27.983(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.3860e-01 1.E45 H = 8.339(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.8783e-01 1.E45 N = 115.769(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.5903e-01 1.S46 C = 171.2(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.6771e-02 1.S46 CA = 58.292(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.3619e-01 1.S46 CB = 64.702(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.4222e-01 1.S46 H = 7.812(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.2765e-01 1.S46 N = 118.625(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.0529e-01 1.A47 C = 177.345(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.5288e-01 1.A47 CA = 54.05(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.4581e-01 1.A47 CB = 17.141(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.0711e-01 1.A47 H = 8.739(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.6901e-01 1.A47 N = 123.548(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.2842e-01 1.E48 C = 174.654(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.5578e-01 1.E48 CA = 59.43(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.1270e-01 1.E48 CB = 27.731(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.8517e-01 1.E48 H = 8.647(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.9107e-01 1.E48 N = 114.452(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.3973e-02 1.A49 C = 175.811(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.6513e-01 1.A49 CA = 52.101(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.9976e-01 1.A49 CB = 20.442(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.3391e-01 1.A49 H = 7.209(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8602e-02 1.A49 N = 117.383(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.8597e-02 1.A50 C = 175.116(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.1798e-01 1.A50 CA = 56.992(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.1720e-02 1.A50 CB = 14.634(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.6791e-02 1.A50 H = 8.688(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.1603e-01 1.A50 N = 124.321(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.5794e-01 1.P51 CA = 65.328(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.8869e-01 1.P51 CB = 30.688(D), Expected = 31.85, Std = 1.1800, ChiSquare = 3.2475e-01 1.L52 CA = 56.146(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.0495e-01 1.L52 CB = 40.159(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.5256e-01 1.L52 H = 7.239(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.2735e-01 1.L52 N = 117.06(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.1841e-01 1.V53 C = 176.51(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.3948e-01 1.V53 CA = 66.233(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.9062e-01 1.V53 CB = 30.788(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.7796e-01 1.V53 H = 7.974(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.3718e-01 1.V53 N = 121.48(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.4030e-01 1.A54 C = 176.998(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.2757e-01 1.A54 CA = 54.412(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.2060e-01 1.A54 CB = 16.768(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.2052e-01 1.A54 H = 7.328(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.4613e-01 1.A54 N = 119.697(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.1827e-01 1.V55 C = 175.505(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.5174e-01 1.V55 CA = 65.547(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.8512e-01 1.V55 CB = 30.915(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.1060e-01 1.V55 H = 7.216(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.0894e-01 1.V55 N = 118.698(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.9066e-01 1.L56 C = 174.033(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.3532e-01 1.L56 CA = 55.853(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.1289e-01 1.L56 CB = 40.091(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.3787e-01 1.L56 H = 7.24(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.2774e-01 1.L56 N = 116.685(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.8453e-01 1.T57 C = 170.281(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.5525e-02 1.T57 CA = 60.854(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.9791e-01 1.T57 CB = 68.608(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.9124e-01 1.T57 H = 7.336(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.4482e-01 1.T57 N = 105.263(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.2491e-02 1.S58 CA = 56.819(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.5843e-01 1.S58 CB = 65.234(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.3259e-01 1.S58 H = 7.492(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.8168e-01 1.S58 N = 116.43(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.6601e-01 1.D59 CA = 55.537(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.7650e-01 1.D59 CB = 40.552(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.3955e-01 1.D59 H = 8.38(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.0394e-01 1.D59 N = 120.13(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.9284e-01 1.G60 CA = 45.725(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.7959e-01 1.G60 H = 9.209(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.7628e-01 1.G60 N = 112.208(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.1194e-01 1.W61 CA = 57.717(D), Expected = 57.66, Std = 2.5800, ChiSquare = 9.8237e-01 1.W61 CB = 27.283(D), Expected = 30.01, Std = 2.0100, ChiSquare = 1.7487e-01 1.W61 H = 7.451(D), Expected = 8.29, Std = 0.7900, ChiSquare = 2.8822e-01 1.W61 N = 122.381(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.6682e-01 1.E62 CA = 58.079(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.1649e-01 1.E62 CB = 25.465(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.2311e-03 1.E62 H = 9.531(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.1791e-02 1.E62 N = 125.925(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.3103e-01 1.T63 CA = 63.295(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.7810e-01 1.T63 CB = 68.552(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.6986e-01 1.T63 H = 7.283(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.2270e-01 1.T63 N = 112.522(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.4179e-01 1.Q64 CA = 54.34(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.9739e-01 1.Q64 CB = 29.363(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.2427e-01 1.Q64 H = 7.489(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.1535e-01 1.Q64 N = 118.38(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.7489e-01 1.W65 CA = 54.486(D), Expected = 57.66, Std = 2.5800, ChiSquare = 2.1861e-01 1.W65 CB = 30.23(D), Expected = 30.01, Std = 2.0100, ChiSquare = 9.1284e-01 1.W65 H = 7.522(D), Expected = 8.29, Std = 0.7900, ChiSquare = 3.3098e-01 1.W65 N = 123.907(D), Expected = 121.68, Std = 4.1800, ChiSquare = 5.9419e-01 1.P66 CA = 62.623(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.4184e-01 1.P66 CB = 28.091(D), Expected = 31.85, Std = 1.1800, ChiSquare = 1.4446e-03 1.L67 CA = 52.189(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.0722e-01 1.L67 CB = 45.367(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.0394e-01 1.L67 H = 8.655(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.1321e-01 1.L67 N = 123.766(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.2504e-01 1.P68 CA = 62.181(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.4970e-01 1.P68 CB = 31.422(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.1682e-01 1.E69 CA = 59.726(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.4965e-01 1.E69 CB = 28.713(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.5081e-01 1.E69 H = 8.856(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.7265e-01 1.E69 N = 125.803(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.4021e-01 1.A70 CA = 54.429(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.1504e-01 1.A70 CB = 17.457(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.9609e-01 1.A70 H = 8.81(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.0931e-01 1.A70 N = 119.487(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.9035e-01 1.S71 CA = 59.929(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.5918e-01 1.S71 CB = 62.637(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.3198e-01 1.S71 H = 7.373(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.2422e-01 1.S71 N = 111.766(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.9971e-01 1.L72 CA = 55.015(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.7638e-01 1.L72 CB = 41.738(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.6093e-01 1.L72 H = 7.182(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.0689e-01 1.A73 CA = 56.665(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.5027e-02 1.A73 CB = 14.954(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.6665e-02 1.A73 H = 7.595(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.1329e-01 1.A73 N = 122.333(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.9997e-01 1.P74 CA = 64.752(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.4952e-01 1.P74 CB = 30.152(D), Expected = 31.85, Std = 1.1800, ChiSquare = 1.5016e-01 1.L75 C = 175.236(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.7569e-01 1.L75 CA = 56.125(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.1259e-01 1.L75 CB = 39.797(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.8132e-01 1.L75 H = 7.386(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.9413e-01 1.L75 N = 117.843(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.0301e-01 1.V76 C = 176.869(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.1094e-01 1.V76 CA = 66.422(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.6919e-01 1.V76 CB = 31.353(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.4173e-01 1.V76 H = 7.937(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.9829e-01 1.V76 N = 120.25(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.4458e-01 1.T77 C = 175.029(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.8113e-01 1.T77 CA = 64.736(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.3134e-01 1.T77 CB = 68.068(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.0790e-01 1.T77 H = 7.214(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.7957e-02 1.T77 N = 111.051(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.5768e-01 1.A78 C = 177.58(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.4012e-01 1.A78 CA = 55.405(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.5265e-01 1.A78 CB = 18.161(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.4269e-01 1.A78 H = 7.539(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.7061e-01 1.A78 N = 127.042(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.8155e-01 1.F79 C = 174.308(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.7630e-01 1.F79 CA = 61.178(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.2803e-01 1.F79 CB = 39.886(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.6031e-01 1.F79 H = 8.453(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.9723e-01 1.F79 N = 115.022(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.9409e-01 1.Q80 C = 173.456(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.4331e-01 1.Q80 CA = 55.509(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.2004e-01 1.Q80 CB = 28.301(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.2522e-01 1.Q80 H = 7.137(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.6418e-02 1.Q80 N = 113.79(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.0181e-02 1.T81 CA = 63.909(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.1432e-01 1.T81 CB = 68.996(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.5249e-01 1.T81 H = 7.49(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.2640e-01 1.T81 N = 119.091(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.3962e-01 1.Q82 C = 172.471(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.8986e-02 1.Q82 CA = 55.444(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.9877e-01 1.Q82 CB = 28.672(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.7594e-01 1.Q82 H = 8.744(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.7447e-01 1.Q82 N = 127.163(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.3355e-02 1.C83 C = 170.599(D), Expected = 174.95, Std = 2.0700, ChiSquare = 3.5559e-02 1.C83 CA = 56.792(D), Expected = 58.30, Std = 3.3300, ChiSquare = 6.5065e-01 1.C83 CB = 29.273(D), Expected = 32.49, Std = 6.0100, ChiSquare = 5.9246e-01 1.C83 H = 8.401(D), Expected = 8.39, Std = 0.6700, ChiSquare = 9.8690e-01 1.C83 N = 121.132(D), Expected = 120.17, Std = 4.6400, ChiSquare = 8.3575e-01 1.E84 CA = 58.448(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.8939e-01 1.E84 CB = 28.889(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.1457e-01 1.E84 H = 8.765(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.6095e-01 1.E84 N = 124.512(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.6958e-01 1.E85 C = 174.002(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.4135e-01 1.E85 CA = 55.762(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.5600e-01 1.E85 CB = 30.816(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.3935e-01 1.E85 H = 7.963(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.3392e-01 1.E85 N = 122.555(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.8805e-01 1.T86 C = 173.226(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.5531e-01 1.T86 CA = 61.157(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.8149e-01 1.T86 CB = 70.34(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.0823e-01 1.T86 H = 8.713(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.4552e-01 1.T86 N = 120.091(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.2543e-01 1.H87 C = 175.148(D), Expected = 175.25, Std = 1.9700, ChiSquare = 9.5871e-01 1.H87 CA = 59.602(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.8214e-01 1.H87 CB = 29.178(D), Expected = 30.24, Std = 2.0700, ChiSquare = 6.0792e-01 1.H87 H = 8.569(D), Expected = 8.24, Std = 0.6800, ChiSquare = 6.2851e-01 1.H87 N = 119.107(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.8412e-01 1.A88 C = 178.398(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.5738e-01 1.A88 CA = 54.933(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.6517e-01 1.A88 CB = 18.04(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.9607e-01 1.A88 H = 8.786(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.2873e-01 1.A88 N = 119.627(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.0877e-01 1.Q89 C = 176.742(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.2467e-01 1.Q89 CA = 58.31(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.1617e-01 1.Q89 CB = 28.11(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.5291e-01 1.Q89 H = 8.014(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.2697e-01 1.Q89 N = 119.503(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.1439e-01 1.A90 C = 175.782(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.5797e-01 1.A90 CA = 54.622(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.5417e-01 1.A90 CB = 17.18(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.1731e-01 1.A90 H = 8.362(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.8716e-01 1.A90 N = 125.02(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.1310e-01 1.W91 C = 175.186(D), Expected = 176.12, Std = 2.0100, ChiSquare = 6.4216e-01 1.W91 CA = 60.315(D), Expected = 57.66, Std = 2.5800, ChiSquare = 3.0345e-01 1.W91 CB = 28.722(D), Expected = 30.01, Std = 2.0100, ChiSquare = 5.2166e-01 1.W91 H = 8.799(D), Expected = 8.29, Std = 0.7900, ChiSquare = 5.1938e-01 1.W91 N = 118.527(D), Expected = 121.68, Std = 4.1800, ChiSquare = 4.5067e-01 1.Q92 C = 175.575(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.0623e-01 1.Q92 CA = 58.039(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.9243e-01 1.Q92 CB = 27.461(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.4211e-01 1.Q92 H = 7.74(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.1590e-01 1.Q92 N = 115.968(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.7596e-01 1.F95 H = 9.42(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.4096e-01 1.P98 C = 173.833(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.3386e-02 1.P98 CA = 63.592(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.6315e-01 1.P98 CB = 33.026(D), Expected = 31.85, Std = 1.1800, ChiSquare = 3.1895e-01 1.W99 C = 173.021(D), Expected = 176.12, Std = 2.0100, ChiSquare = 1.2312e-01 1.W99 CA = 55.96(D), Expected = 57.66, Std = 2.5800, ChiSquare = 5.0995e-01 1.W99 CB = 28.056(D), Expected = 30.01, Std = 2.0100, ChiSquare = 3.3098e-01 1.W99 H = 7.259(D), Expected = 8.29, Std = 0.7900, ChiSquare = 1.9187e-01 1.W99 N = 123.464(D), Expected = 121.68, Std = 4.1800, ChiSquare = 6.6953e-01 1.A100 C = 175.328(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.5747e-01 1.A100 CA = 52.399(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.0822e-01 1.A100 CB = 17.483(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.0404e-01 1.A100 H = 8.348(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.0517e-01 1.A100 N = 123.496(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.4010e-01 1.L101 C = 174.16(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.5292e-01 1.L101 CB = 38.776(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.0137e-02 1.L101 H = 8.532(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.4221e-01 1.L101 N = 123.334(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.0547e-01 1.P102 C = 174.71(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.7670e-01 1.P102 CA = 63.7(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.0768e-01 1.P102 CB = 31.246(D), Expected = 31.85, Std = 1.1800, ChiSquare = 6.0875e-01 1.S103 C = 169.359(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.2228e-03 1.S103 CA = 54.069(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.4649e-02 1.S103 CB = 62.808(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.0269e-01 1.S103 H = 8.262(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.7566e-01 1.S103 N = 109.946(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.1951e-02 1.S108 C = 173.297(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.4178e-01 1.S108 CA = 60.906(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.9095e-01 1.S108 CB = 61.944(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.0982e-01 1.V109 CA = 64.823(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.1465e-01 1.V109 CB = 29.723(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.2979e-02 1.V109 H = 7.273(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.2904e-01 1.V109 N = 121.355(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.6223e-01 1.W110 CA = 57.259(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.7649e-01 1.W110 CB = 29.63(D), Expected = 30.01, Std = 2.0100, ChiSquare = 8.5005e-01 1.W110 H = 7.107(D), Expected = 8.29, Std = 0.7900, ChiSquare = 1.3427e-01 1.W110 N = 119.45(D), Expected = 121.68, Std = 4.1800, ChiSquare = 5.9369e-01 1.L111 CA = 54.94(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.4954e-01 1.L111 CB = 42.693(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.3857e-01 1.L111 H = 7.684(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.0091e-01 1.L111 N = 115.386(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.6914e-02 1.D112 CA = 53.291(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.9072e-01 1.D112 CB = 43.894(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.2816e-02 1.D112 H = 8.365(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.2445e-01 1.D112 N = 122.034(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.1993e-01 1.R113 CA = 57.786(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.6006e-01 1.R113 H = 8.171(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.0994e-01 1.R113 N = 126.328(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.3305e-01 1.E114 C = 173.739(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.0835e-01 1.E114 CA = 55.68(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.3264e-01 1.E114 CB = 28.924(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.2778e-01 1.E114 H = 8.764(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.6198e-01 1.E114 N = 117.597(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.7721e-01 1.S115 C = 170.448(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.5284e-02 1.S115 CA = 58.474(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.0540e-01 1.S115 CB = 61.401(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.0503e-01 1.S115 H = 8.331(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.3112e-01 1.S115 N = 114.21(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.5649e-01 1.F118 Typing: Mistyped 1.F118 C = 173.109(D), Expected = 175.42, Std = 1.9900, ChiSquare = 2.4552e-01 1.F118 CA = 62.779(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.7489e-02 1.F118 CB = 32.743(S), Expected = 39.99, Std = 2.0900, ChiSquare = 5.2539e-04 1.G119 C = 170.059(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.2649e-02 1.G119 CA = 44.038(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.2753e-01 1.G119 H = 8.26(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.1424e-01 1.G119 N = 108.799(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.2193e-01 1.D120 H = 9.873(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.0425e-03 1.D120 N = 123.331(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.8733e-01 1.S121 H = 9.108(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.6050e-01 1.S121 N = 119.048(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.3165e-01 1.T122 CA = 66.032(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.4107e-01 1.T122 CB = 67.09(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.0531e-01 1.T122 H = 7.31(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.3361e-01 1.T122 N = 125.539(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.3146e-02 1.L123 CB = 39.265(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.0530e-01 1.L123 H = 8(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.2345e-01 1.L123 N = 121.451(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.1648e-01 1.A124 CA = 54.617(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.5569e-01 1.A124 CB = 17.02(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.7685e-01 1.A124 H = 8.141(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.2167e-01 1.A124 N = 123.374(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.6755e-01 1.L125 CA = 57.555(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.6364e-01 1.L125 CB = 39.346(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.1489e-01 1.L125 H = 7.783(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.9165e-01 1.L125 N = 122.845(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.0060e-01 1.R126 CA = 59.59(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.2217e-01 1.R126 CB = 29.859(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.4583e-01 1.R126 H = 8.477(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.9763e-01 1.R126 N = 121.361(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.7884e-01 1.Q127 CA = 58.391(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.9481e-01 1.Q127 CB = 27.301(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.9931e-01 1.Q127 H = 8.518(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.1350e-01 1.Q127 N = 119.257(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.6042e-01 1.W128 CA = 61.347(D), Expected = 57.66, Std = 2.5800, ChiSquare = 1.5298e-01 1.W128 CB = 27.566(D), Expected = 30.01, Std = 2.0100, ChiSquare = 2.2402e-01 1.W128 H = 8.081(D), Expected = 8.29, Std = 0.7900, ChiSquare = 7.9135e-01 1.W128 N = 123.363(D), Expected = 121.68, Std = 4.1800, ChiSquare = 6.8722e-01 1.M129 CA = 59.714(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.0606e-01 1.M129 CB = 32.853(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.5123e-01 1.M129 H = 8.949(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.5083e-01 1.M129 N = 117.922(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.4366e-01 1.R130 CA = 58.551(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.4071e-01 1.R130 CB = 28.915(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.2936e-01 1.R130 H = 7.943(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.2634e-01 1.R130 N = 118.438(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.2097e-01 1.E131 CA = 58.603(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.3930e-01 1.E131 CB = 28.483(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.7465e-01 1.E131 H = 8.423(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.7475e-01 1.E131 N = 122.096(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.8197e-01 1.K132 CA = 53.647(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.3326e-01 1.K132 CB = 31.255(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.8849e-01 1.K132 H = 7.645(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.6370e-01 1.K132 N = 114.931(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.0457e-01 1.G133 C = 172.504(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.6747e-01 1.G133 CA = 46.263(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.9565e-01 1.G133 H = 7.687(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.2255e-01 1.G133 N = 110.145(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.0231e-01 1.I134 CA = 60.974(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.1241e-01 1.I134 CB = 38.335(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.8389e-01 1.I134 H = 8.27(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.8827e-01 1.I134 N = 121.191(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.4989e-01 1.Q135 C = 171.001(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.4777e-03 1.Q135 CA = 54.365(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.0283e-01 1.Q135 CB = 28.447(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.8310e-01 1.Q135 H = 8.302(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.8946e-01 1.Q135 N = 128.102(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.2542e-02 1.F136 C = 170.637(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.6238e-02 1.F136 CA = 57.391(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.8863e-01 1.F136 CB = 40.525(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.9797e-01 1.F136 H = 7.837(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.6760e-01 1.F136 N = 125.001(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.7626e-01 1.E137 C = 172.215(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.6978e-02 1.E137 CA = 55.637(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.2067e-01 1.E137 CB = 30.245(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.9133e-01 1.E137 H = 7.822(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.8923e-01 1.E137 N = 127.052(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.6668e-02 1.Q140 H = 8.527(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.0283e-01 1.Q140 N = 122.481(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.7170e-01 1.E142 H = 7.535(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.7783e-01 1.E142 N = 118.843(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.9958e-01 1.P143 C = 175.59(D), Expected = 176.75, Std = 1.5100, ChiSquare = 4.4236e-01 1.P143 CA = 62.754(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.0473e-01 1.P143 CB = 31.77(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.4595e-01 1.E144 C = 173.219(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.1164e-02 1.E144 CA = 58.87(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.5831e-01 1.E144 CB = 28.821(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.8939e-01 1.E144 H = 10.26(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.0710e-03 1.E144 N = 121.412(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.3116e-01 1.D145 C = 173.055(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.5950e-02 1.D145 CA = 51.967(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.7980e-01 1.D145 CB = 39.011(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.4862e-01 1.D145 H = 8.392(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.8757e-01 1.D145 N = 114.843(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.3248e-01 1.H146 C = 173.935(D), Expected = 175.25, Std = 1.9700, ChiSquare = 5.0444e-01 1.H146 CA = 56.748(D), Expected = 56.52, Std = 2.3100, ChiSquare = 9.2138e-01 1.H146 CB = 31.281(D), Expected = 30.24, Std = 2.0700, ChiSquare = 6.1504e-01 1.H146 H = 6.891(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.7276e-02 1.H146 N = 119.942(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.4977e-01 1.L151 C = 176.537(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.1903e-01 1.L151 CA = 57.731(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.2165e-01 1.L151 CB = 41.317(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.9737e-01 1.L152 CB = 39.996(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.1838e-01 1.L152 H = 7.16(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.9732e-02 1.L152 N = 119.458(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.3796e-01 1.M153 C = 175.479(D), Expected = 176.18, Std = 2.0900, ChiSquare = 7.3732e-01 1.M153 CA = 58.717(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.4238e-01 1.M153 H = 8.567(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.0888e-01 1.M153 N = 122.885(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.3368e-01 1.A154 C = 176.783(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.5322e-01 1.A154 CB = 16.532(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.7570e-01 1.A154 H = 8.456(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.6962e-01 1.A154 N = 122.893(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.2416e-01 1.A155 C = 175.999(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.1372e-01 1.A155 CA = 54.939(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.6357e-01 1.A155 CB = 18.252(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.7872e-01 1.W156 C = 176.832(D), Expected = 176.12, Std = 2.0100, ChiSquare = 7.2317e-01 1.W156 CA = 60.795(D), Expected = 57.66, Std = 2.5800, ChiSquare = 2.2432e-01 1.W156 CB = 28.032(D), Expected = 30.01, Std = 2.0100, ChiSquare = 3.2508e-01 1.W156 H = 7.857(D), Expected = 8.29, Std = 0.7900, ChiSquare = 5.8362e-01 1.W156 N = 119.803(D), Expected = 121.68, Std = 4.1800, ChiSquare = 6.5340e-01 1.L157 CA = 57.556(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.6339e-01 1.L157 CB = 40.622(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.6925e-01 1.L157 H = 9.013(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.2835e-01 1.L157 N = 121.542(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.3501e-01 1.A158 C = 179.198(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.9366e-01 1.A158 CA = 55.001(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.4727e-01 1.A158 CB = 18.323(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.0736e-01 1.A158 H = 8.3(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.6763e-01 1.A158 N = 121.452(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.1548e-01 1.E159 C = 177.078(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.1505e-01 1.E159 CA = 58.052(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.2616e-01 1.E159 CB = 28.541(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.9307e-01 1.E159 H = 8.501(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.7195e-01 1.E159 N = 119.661(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.7186e-01 1.N160 CA = 53.198(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.5565e-01 1.N160 CB = 38.575(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.4575e-01 1.N160 H = 7.125(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.3784e-02 1.N160 N = 115.51(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.9608e-01 1.G161 CA = 45.693(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.9797e-01 1.G161 H = 7.749(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.7140e-01 1.G161 N = 107.889(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.4537e-01 1.R162 CA = 53.826(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.0250e-01 1.R162 CB = 26.244(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.4893e-02 1.R162 H = 7.968(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.5567e-01 1.R162 N = 122.897(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.6879e-01 1.Q163 CA = 58.528(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.6022e-01 1.Q163 CB = 27.37(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.1731e-01 1.Q163 H = 7.369(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.4920e-01 1.Q163 N = 120.819(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.9636e-01 1.E165 CA = 60.541(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.2328e-01 1.E165 CB = 28.132(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.7489e-01 1.C166 CA = 62.794(D), Expected = 58.30, Std = 3.3300, ChiSquare = 1.7716e-01 1.C166 CB = 25(D), Expected = 32.49, Std = 6.0100, ChiSquare = 2.1267e-01 1.C166 H = 7.988(D), Expected = 8.39, Std = 0.6700, ChiSquare = 5.4851e-01 1.C166 N = 118.831(D), Expected = 120.17, Std = 4.6400, ChiSquare = 7.7290e-01 1.E167 CA = 61.039(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.5170e-02 1.E167 CB = 28.148(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.7900e-01 1.E167 H = 7.649(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.4840e-01 1.E167 N = 117.369(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.4284e-01 1.E168 CA = 58.641(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.2735e-01 1.E168 CB = 29.388(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.1763e-01 1.E168 H = 7.992(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.6672e-01 1.E168 N = 118.459(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.2520e-01 1.L169 CA = 58.044(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.5511e-01 1.L169 CB = 40.539(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.4618e-01 1.L169 H = 8.049(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.8066e-01 1.L169 N = 119.587(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.6001e-01 1.L170 CA = 57.124(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.8012e-01 1.L170 CB = 39.361(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.1674e-01 1.L170 H = 7.549(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.9478e-01 1.L170 N = 116.99(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.1177e-01 1.A171 CA = 55.495(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.3428e-01 1.A171 CB = 18.045(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.9797e-01 1.A171 H = 8.81(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.0931e-01 1.A171 N = 120.027(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.6557e-01 1.H173 CA = 58.559(D), Expected = 56.52, Std = 2.3100, ChiSquare = 3.7741e-01 1.H173 CB = 29.327(D), Expected = 30.24, Std = 2.0700, ChiSquare = 6.5917e-01 1.H173 H = 7.682(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.1188e-01 1.H173 N = 118.107(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.9229e-01 1.L174 H = 8.217(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.8404e-01 1.L174 N = 117.43(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.5600e-01 1.F175 H = 8.081(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.9839e-01 1.F175 N = 111.014(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.3982e-02 1.P176 CB = 32.883(D), Expected = 31.85, Std = 1.1800, ChiSquare = 3.8134e-01 1.W177 C = 173.622(D), Expected = 176.12, Std = 2.0100, ChiSquare = 2.1395e-01 1.W177 CA = 55.211(D), Expected = 57.66, Std = 2.5800, ChiSquare = 3.4251e-01 1.W177 CB = 28.128(D), Expected = 30.01, Std = 2.0100, ChiSquare = 3.4911e-01 1.W177 H = 8.505(D), Expected = 8.29, Std = 0.7900, ChiSquare = 7.8551e-01 1.W177 N = 122.597(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.2636e-01 1.S178 C = 171.211(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.7482e-02 1.S178 CA = 62.553(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.4070e-02 1.S178 CB = 60.652(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.3418e-02 1.S178 H = 7.877(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.9457e-01 1.S178 N = 118.683(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.9482e-01 1.T179 C = 171.627(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.7901e-02 1.T179 CA = 66.004(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.4401e-01 1.T179 CB = 66.923(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.5054e-02 1.T179 H = 7.554(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.6853e-01 1.T179 N = 118.994(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.5180e-01 1.R180 C = 173.759(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.9158e-01 1.R180 CA = 57.279(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.2560e-01 1.R180 CB = 28.38(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.0488e-01 1.R180 H = 7.235(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.9447e-02 1.R180 N = 122.311(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.8137e-01 1.F181 C = 174.511(D), Expected = 175.42, Std = 1.9900, ChiSquare = 6.4783e-01 1.F181 CA = 58.993(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.2240e-01 1.F181 CB = 37.991(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.3884e-01 1.F181 H = 7.12(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.5029e-02 1.F181 N = 116.379(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.3009e-01 1.L182 C = 175.297(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.9252e-01 1.L182 CA = 56.754(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.9445e-01 1.L182 CB = 40.593(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.6109e-01 1.L182 H = 7.925(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.3890e-01 1.L182 N = 119.87(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.0987e-01 1.D183 C = 177.458(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.4546e-01 1.D183 CA = 57.145(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.2652e-01 1.D183 CB = 39.243(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.1226e-01 1.D183 H = 8.498(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.4583e-01 1.D183 N = 120.524(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.7396e-01 1.V184 C = 174.593(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.8883e-01 1.V184 CA = 65.827(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.4330e-01 1.V184 CB = 30.64(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.4297e-01 1.V184 H = 7.561(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.7657e-01 1.V184 N = 120.731(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.2822e-01 1.F185 C = 173.99(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.7239e-01 1.F185 CA = 62.179(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.1073e-01 1.F185 CB = 39.221(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.1292e-01 1.F185 H = 8.54(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.0259e-01 1.F185 N = 121.497(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.0222e-01 1.I186 C = 175.199(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.3456e-01 1.I186 CA = 65.421(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.5502e-01 1.I186 CB = 38.394(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.0699e-01 1.I186 H = 8.859(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.9451e-01 1.I186 N = 117.469(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.5109e-01 1.E187 C = 175.937(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.3232e-01 1.E187 CA = 58.332(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.2824e-01 1.E187 CB = 29.086(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.9112e-01 1.E187 H = 7.096(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.6481e-02 1.E187 N = 117.879(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.2255e-01 1.K188 C = 174.984(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.0767e-01 1.K188 CA = 54.502(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.6583e-01 1.K188 CB = 32.326(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.9434e-01 1.K188 H = 7.795(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.1032e-01 1.K188 N = 114.852(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.0017e-01 1.A189 C = 177.101(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.6418e-01 1.A189 CA = 55.064(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.3119e-01 1.A189 CB = 16.52(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.7362e-01 1.A189 H = 7.877(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.9035e-01 1.A189 N = 123.195(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.9211e-01 1.E190 C = 172.232(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.7385e-02 1.E190 CA = 57.499(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.3175e-01 1.E190 CB = 27.015(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.1635e-02 1.E190 H = 8.894(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.3911e-01 1.E190 N = 110.734(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.3013e-03 1.H191 C = 171.967(D), Expected = 175.25, Std = 1.9700, ChiSquare = 9.5614e-02 1.H191 CA = 55.282(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.9201e-01 1.H191 CB = 33.829(D), Expected = 30.24, Std = 2.0700, ChiSquare = 8.2951e-02 1.H191 H = 7.359(D), Expected = 8.24, Std = 0.6800, ChiSquare = 1.9512e-01 1.H191 N = 119.222(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.0686e-01 1.P192 C = 176.048(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.4200e-01 1.P192 CA = 64.782(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.3944e-01 1.P192 CB = 30.855(D), Expected = 31.85, Std = 1.1800, ChiSquare = 3.9911e-01 1.F193 C = 173.917(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.5008e-01 1.F193 CA = 61.537(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.7858e-01 1.F193 CB = 39.064(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.5772e-01 1.F193 H = 9.413(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.4360e-01 1.F193 N = 119.823(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.8076e-01 1.Y194 C = 174.666(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.1224e-01 1.Y194 CA = 63.826(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.3249e-02 1.Y194 CB = 38.016(D), Expected = 39.32, Std = 2.1600, ChiSquare = 5.4604e-01 1.Y194 H = 7.134(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.0424e-01 1.Y194 N = 115.007(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.8931e-01 1.R195 C = 174.923(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.6386e-01 1.R195 CA = 60.154(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.4294e-01 1.R195 CB = 28.691(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.7229e-01 1.R195 H = 8.783(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.7338e-01 1.R195 N = 121.195(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.1452e-01 1.A196 CA = 54.317(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.5221e-01 1.A196 CB = 15.088(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.2100e-02 1.A196 H = 7.209(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8602e-02 1.A196 N = 121.024(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.3318e-01 1.L197 C = 176.647(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.6247e-01 1.L197 CA = 57.342(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.1883e-01 1.L197 CB = 41.379(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.2045e-01 1.L197 H = 8.1(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.4148e-01 1.L197 N = 120.16(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.6291e-01 1.G198 C = 172.448(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.4942e-01 1.G198 CA = 47.14(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.8161e-01 1.G198 H = 8.493(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.0199e-01 1.G198 N = 106.169(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.6565e-01 1.E199 C = 176.257(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.5325e-01 1.E199 CA = 59.634(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.6822e-01 1.E199 CB = 29.123(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.0607e-01 1.E199 H = 8.438(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.5476e-01 1.E199 N = 124.332(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.9266e-01 1.L200 CA = 57.356(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.1506e-01 1.L200 CB = 41.397(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.2722e-01 1.L200 H = 9.228(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.2469e-01 1.L200 N = 122.17(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.3665e-01 1.A201 CA = 54.846(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.8890e-01 1.A201 CB = 17.593(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.3874e-01 1.A201 H = 9.07(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.4706e-01 1.A201 N = 124.216(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.8060e-01 1.R202 CA = 59.66(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.1090e-01 1.R202 CB = 30.101(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.4342e-01 1.R202 H = 9.01(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.0684e-01 1.R202 N = 121.32(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.8763e-01 1.L203 CA = 57.206(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.5651e-01 1.L203 CB = 43.149(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.5540e-01 1.L203 H = 8.422(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.6770e-01 1.L203 N = 118.384(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.7278e-01 1.T204 CA = 66.888(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.1496e-02 1.T204 CB = 68.209(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.5075e-01 1.T204 H = 8.13(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.5918e-01 1.T204 N = 117.803(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.1589e-01 1.L205 CA = 58.866(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.2752e-01 1.L205 CB = 37.594(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.2124e-02 1.L205 H = 8.683(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.8585e-01 1.L205 N = 121.69(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.6523e-01 1.A206 C = 178.026(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.9319e-01 1.A206 CA = 54.57(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.7016e-01 1.A206 CB = 16.957(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.6192e-01 1.A206 H = 7.496(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.4066e-01 1.A206 N = 121.205(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.6730e-01 1.Q207 C = 177.298(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.1239e-01 1.Q207 CA = 58.031(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.9479e-01 1.Q207 CB = 26.97(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.2255e-01 1.Q207 H = 7.192(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.1443e-02 1.Q207 N = 120.11(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.5127e-01 1.W208 CB = 28.314(D), Expected = 30.01, Std = 2.0100, ChiSquare = 3.9879e-01 1.W208 H = 7.882(D), Expected = 8.29, Std = 0.7900, ChiSquare = 6.0554e-01 1.W208 N = 122.295(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.8303e-01 1.Q209 C = 175.699(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.5403e-01 1.Q209 CA = 59.031(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.5014e-01 1.Q209 CB = 26.295(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.1169e-01 1.Q209 H = 8.537(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.9107e-01 1.S210 CA = 60.14(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.9272e-01 1.S210 CB = 62.795(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.9710e-01 1.S210 H = 7.469(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.6926e-01 1.S210 N = 113.658(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.5634e-01 1.Q211 CA = 54.852(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.2209e-01 1.Q211 CB = 29.383(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.1555e-01 1.Q211 H = 7.423(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.7674e-01 1.Q211 N = 119.699(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.5769e-01 1.L212 CA = 55.514(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.6031e-01 1.L212 CB = 42.255(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.7666e-01 1.L212 H = 6.868(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.6137e-02 1.L212 N = 119.952(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.2468e-01 1.L213 CA = 55.978(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.6652e-01 1.L213 CB = 42.138(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.2710e-01 1.L213 H = 10.151(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.1228e-03 1.L213 N = 124.417(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.1206e-01 1.I214 H = 7.907(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.8333e-01 1.I214 N = 110.787(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.2642e-02 1.P215 CA = 61.938(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.5978e-01 1.P215 CB = 31.319(D), Expected = 31.85, Std = 1.1800, ChiSquare = 6.5271e-01 1.V216 CA = 62.269(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.3841e-01 1.V216 H = 8.163(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.4966e-01 1.V216 N = 121.542(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.2944e-01 1.A217 CA = 51.905(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.3280e-01 1.A217 CB = 18.201(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.5843e-01 1.A217 H = 8.128(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0448e-01 1.A217 N = 130.713(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.4529e-02 1.V218 CA = 62.615(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.6514e-01 1.V218 CB = 30.468(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.0634e-01 1.V218 H = 8.106(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.8360e-01 1.V218 N = 123.397(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.1909e-01 1.K219 CA = 52.247(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.2539e-02 1.K219 CB = 34.239(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.1562e-01 1.K219 H = 7.896(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.2413e-01 1.K219 N = 127.36(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.4182e-02 1.P220 C = 171.493(S), Expected = 176.75, Std = 1.5100, ChiSquare = 4.9869e-04 1.P220 CA = 62.432(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.5466e-01 1.P220 CB = 31.108(D), Expected = 31.85, Std = 1.1800, ChiSquare = 5.2947e-01 1.L221 CA = 52.605(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.5692e-01 1.L221 CB = 44.316(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.8596e-01 1.L221 H = 7.802(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.1024e-01 1.L221 N = 119.217(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.9797e-01 1.F222 CA = 58.49(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.7325e-01 1.F222 CB = 39.633(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.6437e-01 1.F222 H = 8.741(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.9669e-01 1.F222 N = 118.603(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.5859e-01 1.R223 CA = 56.308(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.4148e-01 1.R223 CB = 31.858(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.2687e-01 1.R223 H = 7.664(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.4504e-01 1.R223 N = 125.01(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.5261e-01