M1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable
PRTL>> C 0.25 M 0.25 Q 0.23 K 0.15 E 0.06 R 0.02
C Shift Assignments>> C :: 172.46 CA :: 54.949(D) CB :: 33.216(D) CG :: 30.677
Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42)
H Shift Assignments>> HA :: 4.047(D) HB2 :: 2.027(D) HB3 :: 2.027(D) HG2 :: 2.203 HG3 :: 2.394
Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4)
HE :: 1.86(0.47)
K2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.38 K 0.37 R 0.21 M 0.01 G 0.01
C Shift Assignments>> C :: 175.11(D) CA :: 54.102(D) CB :: 35.445(D) CG :: 25.26(D) CD :: 29.266 CE :: 42.06
Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98)
H Shift Assignments>> H :: 8.293(D) HA :: 4.866(D) HB2 :: 1.652(D) HB3 :: 1.842(D) HG2 :: 1.483(D) HG3 :: 1.55(D)
HD2 :: 1.652 HD3 :: 1.775 HE2 :: 2.99 HE3 :: 2.99
Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29)
HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36)
N Shift Assignments>> N :: 125.25(D)
Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41)
K3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> K 0.38 C 0.36 R 0.22 M 0.01
C Shift Assignments>> C :: 175.97(D) CA :: 56.226(D) CB :: 33.454(D) CG :: 25.946(D) CD :: 28.802(D) CE :: 42.008(D)
Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98)
H Shift Assignments>> H :: 10.113(D) HA :: 5.474(D) HB2 :: 2.01(D) HB3 :: 2.117(D) HG2 :: 1.415(D) HG3 :: 1.573(D)
HD2 :: 1.668(D) HD3 :: 1.753(D) HE2 :: 2.948(D) HE3 :: 2.948(D)
Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29)
HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36)
N Shift Assignments>> N :: 124.85(D)
Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41)
I4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> I 0.59 C 0.39
C Shift Assignments>> C :: 172.87(D) CA :: 59.349(D) CB :: 39.647(D) CG1 :: 28.028(D) CG2 :: 18.061(D) CD1 :: 14.255(D)
Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91)
H Shift Assignments>> H :: 9.419(D) HA :: 4.551(D) HB :: 1.798(D) HG2 :: 0.269(D) HG12 :: 1.237(D) HG13 :: 1.407(D)
HD1 :: 0.718(D)
Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4)
HD1 :: 0.7(0.3)
N Shift Assignments>> N :: 126.36(D)
Ave N Shift Values>> N :: 121.6(4.72)
L5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> G 0.47 L 0.35 C 0.15 R 0.01
C Shift Assignments>> C :: 175.13(D) CA :: 52.922(D) CB :: 44.947(D) CG :: 27.436(D) CD1 :: 24.562(D) CD2 :: 24.562
Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78)
H Shift Assignments>> H :: 8.41(D) HA :: 4.836(D) HB2 :: 1.266(D) HB3 :: 1.943(D) HG :: 1.213(D) HD1 :: 0.583(D)
HD2 :: 0.583
Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27)
HD2 :: 0.76(0.28)
N Shift Assignments>> N :: 130.47(D)
Ave N Shift Values>> N :: 121.98(4.07)
F6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> F 0.46 Y 0.27 C 0.24
C Shift Assignments>> C :: 175.67(D) CA :: 57.749(D) CB :: 41.98(D) CD1 :: 131.33 CD2 :: 131.33 CE1 :: 130.69
CE2 :: 130.69
Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48)
CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68)
H Shift Assignments>> H :: 8.678(D) HA :: 5.385(D) HB2 :: 2.664(D) HB3 :: 2.798(D) HD1 :: 6.928 HD2 :: 6.928
HE1 :: 6.946 HE2 :: 6.946
Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86)
HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8)
N Shift Assignments>> N :: 126.45(D)
Ave N Shift Values>> N :: 120.69(4.18)
I7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.64 I 0.18 G 0.16
HN Overlap>> E32
C Shift Assignments>> C :: 175.03(D) CA :: 60.012(D) CB :: 43.115(D) CG1 :: 27.673 CG2 :: 18.543 CD1 :: 16.599
Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91)
H Shift Assignments>> H :: 9.222(D) HA :: 5.53(D) HB :: 1.395(D) HG2 :: 0.842 HG12 :: 0.707 HG13 :: 1.427
HD1 :: 0.707
Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4)
HD1 :: 0.7(0.3)
N Shift Assignments>> N :: 122.66(D)
Ave N Shift Values>> N :: 121.6(4.72)
C8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> R 0.14 C 0.13 W 0.13 E 0.12 H 0.12 M 0.11 K 0.1 Q 0.08 V 0.02 I 0.01
C Shift Assignments>> C :: 174(D) CA :: 57.127(D) CB :: 31.164(D)
Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77)
H Shift Assignments>> H :: 7.936(D) HA :: 5.329(D) HB2 :: 3.208(D) HB3 :: 3.471(D)
Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48)
N Shift Assignments>> N :: 123.51(D)
Ave N Shift Values>> N :: 119.95(4.79)
L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent
PRTL>> L 0.5 C 0.32 R 0.14 G 0.01
C Shift Assignments>> C :: 177.55 CA :: 57.775 CB :: 42.291 CG :: 27.097 CD1 :: 26.101 CD2 :: 23.724
Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78)
H Shift Assignments>> H :: 7.379 HA :: 4.847 HB2 :: 1.708 HB3 :: 2.204 HG :: 1.517 HD1 :: 1.059
HD2 :: 0.989
Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27)
HD2 :: 0.76(0.28)
N Shift Assignments>> N :: 120.92
Ave N Shift Values>> N :: 121.98(4.07)
G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent
PRTL>> G 0.81 C 0.11 L 0.05
C Shift Assignments>> C :: 173.25 CA :: 46.236
Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42)
H Shift Assignments>> H :: 8.93 HA2 :: 3.745 HA3 :: 4.321
Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4)
N Shift Assignments>> N :: 105.09
Ave N Shift Values>> N :: 109.91(4.29)
N11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> D 0.24 C 0.14 F 0.13 L 0.13 Y 0.13 N 0.11 K 0.06 I 0.01
C Shift Assignments>> C :: 173.44 CA :: 55.184(D) CB :: 40.289(D)
Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33)
H Shift Assignments>> H :: 9.037(D) HA :: 3.89(D) HB2 :: 2.228(D) HB3 :: 3.191(D)
Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52)
N Shift Assignments>> N :: 119.47(D)
Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6)
I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent
PRTL>> I 0.74 C 0.2 G 0.04
C Shift Assignments>> C :: 176.91 CA :: 63.897 CB :: 42.056 CG1 :: 26.35 CG2 :: 19.62 CD1 :: 14.053
Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91)
H Shift Assignments>> H :: 7.616 HA :: 4.747 HB :: 2.045 HG2 :: 0.943 HG12 :: 0.549 HG13 :: 1.854
HD1 :: 0.336
Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4)
HD1 :: 0.7(0.3)
N Shift Assignments>> N :: 125.78
Ave N Shift Values>> N :: 121.6(4.72)
C13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent
PRTL>> W 0.15 C 0.13 E 0.13 K 0.11 I 0.11 Q 0.1 H 0.09 R 0.09 M 0.02 V 0.02
C Shift Assignments>> C :: 177.28 CA :: 59.188 CB :: 29.163
Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77)
H Shift Assignments>> H :: 9.097 HA :: 5.25 HB2 :: 2.738 HB3 :: 4.204
Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48)
N Shift Assignments>> N :: 120.08
Ave N Shift Values>> N :: 119.95(4.79)
R14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent
PRTL>> C 0.48 R 0.23 K 0.14 G 0.13
C Shift Assignments>> C :: 176.4 CA :: 61.083 CB :: 33.201 CG :: 27.877 CD :: 43.316
Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87)
H Shift Assignments>> H :: 10.37(S) HA :: 3.887 HB2 :: 1.898 HB3 :: 2.418 HG2 :: 2.075 HG3 :: 2.169
HD2 :: 3.176 HD3 :: 3.191
Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27)
HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32)
HH22 :: 6.72(0.33)
N Shift Assignments>> N :: 123.36
Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44)
S15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate
PRTL>> S 0.86 T 0.13
C Shift Assignments>> CA :: 64.027 CB :: 62.548
Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57)
H Shift Assignments>> H :: 9.948(D) HA :: 4.103 HB2 :: 3.799 HB3 :: 3.923
Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16)
N Shift Assignments>> N :: 118.89(D)
Ave N Shift Values>> N :: 116.3(3.95)
P16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable
PRTL>> P 0.71 C 0.28
C Shift Assignments>> C :: 177.57(D) CA :: 63.625(D) CB :: 30.046(D) CG :: 29.066(D) CD :: 50.254(D)
Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04)
H Shift Assignments>> HA :: 4.069(D) HB2 :: 0.988(D) HB3 :: 0.988 HG2 :: 1.19(D) HG3 :: 1.484(D) HD2 :: 3.17(D)
HD3 :: 3.743(D)
Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36)
HD3 :: 3.63(0.4)
M17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.57 M 0.3 Q 0.06 E 0.03 K 0.01
C Shift Assignments>> C :: 177.34(D) CA :: 60.071(D) CB :: 32.754(D) CG :: 32.815(D)
Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42)
H Shift Assignments>> H :: 6.58(D) HA :: 3.667(D) HB2 :: 2.15(D) HB3 :: 2.15(D) HG2 :: 2.451(D) HG3 :: 2.451(D)
Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4)
HE :: 1.86(0.47)
N Shift Assignments>> N :: 115.27(D)
Ave N Shift Values>> N :: 120.1(3.88)
A18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate
PRTL>> M 0.67 A 0.27 I 0.03 C 0.02
C Shift Assignments>> C :: 176.54(D) CA :: 54.776(D) CB :: 16.569(D)
Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85)
H Shift Assignments>> H :: 7.764(D) HA :: 3.314(D) HB :: 0.147(S)
Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25)
N Shift Assignments>> N :: 119.6(D)
Ave N Shift Values>> N :: 123.23(3.7)
E19 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Anomalous N Shifts: Duplicate
PRTL>> C 0.29 E 0.22 K 0.18 Q 0.17 I 0.07 M 0.02 R 0.02
C Shift Assignments>> C :: 177.75(D) CA :: 58.873(D) CB :: 28.856(D) CG :: 34.908
Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85)
H Shift Assignments>> H :: 8.179(D) HA :: 3.499(D) HB2 :: 1.718(D) HB3 :: 1.825(D) HG2 :: 0.746(M) HG3 :: 1.542(S)
Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21)
N Shift Assignments>> N :: 118.06(D)
Ave N Shift Values>> N :: 120.68(3.68)
F20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> F 0.45 C 0.32 Y 0.22
C Shift Assignments>> C :: 179.65(D) CA :: 63.367(D) CB :: 38.406(D) CD1 :: 132.57 CD2 :: 132.57 CE1 :: 131.84
CE2 :: 131.84
Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48)
CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68)
H Shift Assignments>> H :: 7.614(D) HA :: 4.394(D) HB2 :: 2.615(D) HB3 :: 3.336(D) HD1 :: 7.401 HD2 :: 7.401
HE1 :: 7.241 HE2 :: 7.241
Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86)
HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8)
N Shift Assignments>> N :: 115.61(D)
Ave N Shift Values>> N :: 120.69(4.18)
I21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> I 0.92 C 0.06
C Shift Assignments>> C :: 178.11(D) CA :: 66.394(D) CB :: 38.859(D) CG1 :: 29.032 CG2 :: 17.488 CD1 :: 16.333
Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91)
H Shift Assignments>> H :: 8.635(D) HA :: 3.801(D) HB :: 1.77(D) HG2 :: 0.752 HG12 :: 0.943 HG13 :: 1.921
HD1 :: 0.546
Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4)
HD1 :: 0.7(0.3)
N Shift Assignments>> N :: 124.01(D)
Ave N Shift Values>> N :: 121.6(4.72)
M22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.46 M 0.32 Q 0.11 E 0.07 K 0.01
C Shift Assignments>> C :: 178.14(D) CA :: 58.069(D) CB :: 32.849(D) CG :: 33.417
Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42)
H Shift Assignments>> H :: 8.882(D) HA :: 4.103(D) HB2 :: 2.234(D) HB3 :: 2.491(D) HG2 :: 2.521 HG3 :: 2.521
Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4)
HE :: 1.86(0.47)
N Shift Assignments>> N :: 120.28(D)
Ave N Shift Values>> N :: 120.1(3.88)
K23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.46 K 0.28 R 0.16 G 0.07
C Shift Assignments>> C :: 178.66(D) CA :: 60.714(D) CB :: 34.359(D) CG :: 24.769 CD :: 29.075 CE :: 42.993
Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98)
H Shift Assignments>> H :: 8.59(D) HA :: 3.756(D) HB2 :: 1.943(D) HB3 :: 2.049(D) HG2 :: 1.393 HG3 :: 1.393
HD2 :: 1.607 HD3 :: 1.607 HE2 :: 2.92 HE3 :: 3.03
Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29)
HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36)
N Shift Assignments>> N :: 118.53(D)
Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41)
D24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> R 0.29 L 0.16 C 0.13 K 0.13 F 0.11 Y 0.07 G 0.03 D 0.03 I 0.01
HN Overlap>> V147
C Shift Assignments>> C :: 177.57(D) CA :: 58.128(D) CB :: 42.97(D)
Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84)
H Shift Assignments>> H :: 7.583(D) HA :: 4.562(D) HB2 :: 2.93(D) HB3 :: 3.012(D)
Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29)
N Shift Assignments>> N :: 120.8(D)
Ave N Shift Values>> N :: 120.73(4.2)
L25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.5 L 0.34 R 0.11 G 0.02 A 0.01
C Shift Assignments>> C :: 180.78(D) CA :: 58.07(D) CB :: 42.056(D) CG :: 26.171 CD1 :: 21.989 CD2 :: 26.36
Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78)
H Shift Assignments>> H :: 8.266(D) HA :: 3.963(D) HB2 :: 1.367(D) HB3 :: 1.989(D) HG :: 2.016 HD1 :: 0.879
HD2 :: 0.738
Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27)
HD2 :: 0.76(0.28)
N Shift Assignments>> N :: 118.99(D)
Ave N Shift Values>> N :: 121.98(4.07)
V26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> V 0.92 C 0.07
C Shift Assignments>> C :: 173.6(D) CA :: 66.664(D) CB :: 31.646(D) CG1 :: 23.818 CG2 :: 21.96
Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76)
H Shift Assignments>> H :: 8.709(D) HA :: 3.51(D) HB :: 2.128(D) HG1 :: 0.864 HG2 :: 0.864
Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29)
N Shift Assignments>> N :: 119.24(D)
Ave N Shift Values>> N :: 121.02(4.96)
K27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> K 0.41 C 0.37 R 0.18 M 0.01 G 0.01
C Shift Assignments>> C :: 181.22(D) CA :: 59.953(D) CB :: 31.849(D) CG :: 24.954 CD :: 29.307 CE :: 42.018
Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98)
H Shift Assignments>> H :: 8.062(D) HA :: 4.237(D) HB2 :: 2.054(D) HB3 :: 2.143(D) HG2 :: 1.472 HG3 :: 1.572
HD2 :: 1.608 HD3 :: 1.775 HE2 :: 3.024 HE3 :: 3.024
Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29)
HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36)
N Shift Assignments>> N :: 122.84(D)
Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41)
K28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.43 R 0.28 K 0.26
C Shift Assignments>> C :: 177.61(D) CA :: 59.659(D) CB :: 32.912(D) CG :: 27.085 CD :: 29.061 CE :: 41.97
Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98)
H Shift Assignments>> H :: 8.321(D) HA :: 4.025(D) HB2 :: 1.855(D) HB3 :: 1.937(D) HG2 :: 1.495 HG3 :: 1.669
HD2 :: 1.662 HD3 :: 1.758 HE2 :: 3.046 HE3 :: 3.046
Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29)
HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36)
N Shift Assignments>> N :: 121.93(D)
Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41)
A29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> A 0.82 M 0.14 C 0.02
C Shift Assignments>> C :: 176.09(D) CA :: 51.652(D) CB :: 19.39(D)
Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85)
H Shift Assignments>> H :: 7.499(D) HA :: 4.444(D) HB :: 1.462(D)
Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25)
N Shift Assignments>> N :: 119.73(D)
Ave N Shift Values>> N :: 123.23(3.7)
N30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.27 N 0.26 E 0.13 Y 0.11 F 0.06 M 0.06 D 0.04 K 0.02 I 0.01
C Shift Assignments>> C :: 176.26(D) CA :: 54.419(D) CB :: 37.051(D)
Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33)
H Shift Assignments>> H :: 8.13(D) HA :: 4.859(D) HB2 :: 2.911(D) HB3 :: 3.292(D) HD21 :: 7.64 HD22 :: 6.86
Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52)
N Shift Assignments>> N :: 115.55(D) ND2 :: 112.96
Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6)
L31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.27 G 0.27 L 0.2 A 0.18 R 0.05
C Shift Assignments>> C :: 178.23(D) CA :: 54.242(D) CB :: 43.95(D) CG :: 25.454 CD1 :: 21.957 CD2 :: 26.452
Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78)
H Shift Assignments>> H :: 8.276(D) HA :: 4.876(D) HB2 :: 1.615(D) HB3 :: 2.156(D) HG :: 1.686 HD1 :: 0.888
HD2 :: 0.976
Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27)
HD2 :: 0.76(0.28)
N Shift Assignments>> N :: 117.81(D)
Ave N Shift Values>> N :: 121.98(4.07)
E32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.33 I 0.32 E 0.28 K 0.03 M 0.01
HN Overlap>> I7
C Shift Assignments>> C :: 177.65(D) CA :: 60.128(D) CB :: 29.528(D) CG :: 36.902
Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85)
H Shift Assignments>> H :: 9.247(D) HA :: 4.014(D) HB2 :: 2.15(D) HB3 :: 2.15(D) HG2 :: 2.328 HG3 :: 2.425
Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21)
N Shift Assignments>> N :: 122.62(D)
Ave N Shift Values>> N :: 120.68(3.68)
K33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> K 0.35 C 0.33 R 0.28 M 0.02 G 0.01
C Shift Assignments>> C :: 176.76(D) CA :: 57.094(D) CB :: 31.697(D) CG :: 25.239 CD :: 28.784 CE :: 42.265
Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98)
H Shift Assignments>> H :: 8.501(D) HA :: 4.327(D) HB2 :: 1.792(D) HB3 :: 1.931(D) HG2 :: 1.462 HG3 :: 1.528
HD2 :: 1.686 HD3 :: 1.753 HE2 :: 3.084 HE3 :: 3.084
Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29)
HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36)
N Shift Assignments>> N :: 115.86(D)
Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41)
E34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.3 E 0.3 M 0.18 Q 0.1 K 0.07 I 0.01
C Shift Assignments>> C :: 175.62(D) CA :: 56.244(D) CB :: 30.871(D) CG :: 35.526
Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85)
H Shift Assignments>> H :: 7.839(D) HA :: 4.333(D) HB2 :: 1.684(D) HB3 :: 1.747(D) HG2 :: 1.978 HG3 :: 2.008
Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21)
N Shift Assignments>> N :: 116.76(D)
Ave N Shift Values>> N :: 120.68(3.68)
F35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> F 0.27 C 0.26 Y 0.24 G 0.2
C Shift Assignments>> C :: 173.33(D) CA :: 56.766(D) CB :: 43.781(D) CD1 :: 132.04 CD2 :: 132.04
Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48)
CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68)
H Shift Assignments>> H :: 7.268(D) HA :: 5.58(D) HB2 :: 2.702(D) HB3 :: 2.814(D) HD1 :: 7.235 HD2 :: 7.235
Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86)
HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8)
N Shift Assignments>> N :: 116.84(D)
Ave N Shift Values>> N :: 120.69(4.18)
F36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> F 0.49 C 0.29 Y 0.19
C Shift Assignments>> C :: 173.82(D) CA :: 56.892(D) CB :: 41.761(D) CD1 :: 131.62 CD2 :: 131.62 CE1 :: 131.57
CE2 :: 131.57
Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48)
CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68)
H Shift Assignments>> H :: 8.883(D) HA :: 5.01(D) HB2 :: 2.916(D) HB3 :: 3.236(D) HD1 :: 7.23 HD2 :: 7.23
HE1 :: 7.343 HE2 :: 7.343
Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86)
HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8)
N Shift Assignments>> N :: 124.01(D)
Ave N Shift Values>> N :: 120.69(4.18)
I37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.57 I 0.41
C Shift Assignments>> C :: 172.89(D) CA :: 59.273(D) CB :: 39.28(D) CG1 :: 28.035 CG2 :: 20.444 CD1 :: 13.705
Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91)
H Shift Assignments>> H :: 8.814(D) HA :: 4.758(D) HB :: 1.652(D) HG2 :: 1.163 HG12 :: 1.235 HG13 :: 1.406
HD1 :: 0.72
Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4)
HD1 :: 0.7(0.3)
N Shift Assignments>> N :: 128.9(D)
Ave N Shift Values>> N :: 121.6(4.72)
N38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> D 0.29 L 0.21 C 0.15 N 0.1 R 0.07 G 0.06 K 0.05 F 0.02 Y 0.02
C Shift Assignments>> C :: 172.63(D) CA :: 51.063(D) CB :: 42.332(D)
Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33)
H Shift Assignments>> H :: 8.562(D) HA :: 4.741(D) HB2 :: 2.777(D) HB3 :: 2.777(D) HD21 :: 6.992 HD22 :: 7.644
Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52)
N Shift Assignments>> N :: 124.58(D) ND2 :: 111.71
Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6)
S39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> S 0.9 T 0.09
C Shift Assignments>> C :: 171.45(D) CA :: 58.54(D) CB :: 65.957(D)
Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57)
H Shift Assignments>> H :: 8.725(D) HA :: 5.756(D) HB2 :: 3.795(D) HB3 :: 4.008(D)
Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16)
N Shift Assignments>> N :: 115.98(D)
Ave N Shift Values>> N :: 116.3(3.95)
A40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> L 0.39 A 0.26 C 0.16 M 0.11 K 0.04
C Shift Assignments>> C :: 174.85(D) CA :: 51.593(D) CB :: 22.71(D)
Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85)
H Shift Assignments>> H :: 8.773(D) HA :: 4.601(D) HB :: 1.165(D)
Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25)
N Shift Assignments>> N :: 118.41(D)
Ave N Shift Values>> N :: 123.23(3.7)
G41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate
PRTL>> R 0.38 L 0.27 C 0.07 K 0.06 D 0.05 F 0.04 G 0.04 Y 0.03 I 0.01
C Shift Assignments>> C :: 174.7(D) CA :: 43.097(D)
Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42)
H Shift Assignments>> H :: 8.76(D) HA2 :: 3.627(D) HA3 :: 5.345(S)
Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4)
N Shift Assignments>> N :: 105.64(D)
Ave N Shift Values>> N :: 109.91(4.29)
T42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> T 0.97 C 0.02
C Shift Assignments>> C :: 177.17(D) CA :: 64.563(D) CB :: 68.254(D) CG2 :: 21.195
Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39)
H Shift Assignments>> H :: 8.975(D) HA :: 4.376(D) HB :: 4.445(D) HG2 :: 1.213
Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28)
HG22 :: 1.16(0.28) HG23 :: 1.16(0.28)
N Shift Assignments>> N :: 112.52(D)
Ave N Shift Values>> N :: 115.7(5.05)
S43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> S 0.99
C Shift Assignments>> C :: 176.61 CA :: 58.999(D) CB :: 64.309(D)
Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57)
H Shift Assignments>> H :: 8.917(D) HA :: 4.545(D) HB2 :: 3.905(D) HB3 :: 3.95(D)
Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16)
N Shift Assignments>> N :: 118.41(D)
Ave N Shift Values>> N :: 116.3(3.95)
G44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent
PRTL>> G 0.79 C 0.08 L 0.08 R 0.02
C Shift Assignments>> C :: 175.81(D) CA :: 45.512(D)
Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42)
H Shift Assignments>> H :: 9.452 HA2 :: 3.93(D) HA3 :: 4.327(D)
Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4)
N Shift Assignments>> N :: 114.41
Ave N Shift Values>> N :: 109.91(4.29)
E45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> E 0.37 C 0.34 I 0.12 K 0.06 M 0.05 Q 0.02
C Shift Assignments>> C :: 176.2(D) CA :: 58.363(D) CB :: 30.08(D) CG :: 36.413
Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85)
H Shift Assignments>> H :: 8.233(D) HA :: 3.885(D) HB2 :: 1.584(D) HB3 :: 1.686(D) HG2 :: 1.85 HG3 :: 1.959
Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21)
N Shift Assignments>> N :: 119.56(D)
Ave N Shift Values>> N :: 120.68(3.68)
H46 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate
PRTL>> W 0.52 C 0.47
HN Overlap>> S128
C Shift Assignments>> C :: 173.73(D) CA :: 53.46(D) CB :: 29.221(D) CD2 :: 138.03(S)
Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58)
H Shift Assignments>> H :: 8.082(D) HA :: 4.756(D) HB2 :: 2.998(D) HB3 :: 3.443(D) HD2 :: 6.975
Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5)
HE1 :: 8.08(0.57) HE2 :: 10.43(3.11)
N Shift Assignments>> N :: 114.65(D)
Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86)
D47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> F 0.2 Y 0.18 C 0.15 D 0.14 L 0.12 K 0.09 N 0.03 I 0.03 R 0.01
C Shift Assignments>> C :: 177.92(D) CA :: 56.656(D) CB :: 40.407(D)
Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84)
H Shift Assignments>> H :: 6.961(D) HA :: 3.969(D) HB2 :: 2.552(D) HB3 :: 2.589(D)
Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29)
N Shift Assignments>> N :: 121.34(D)
Ave N Shift Values>> N :: 120.73(4.2)
G48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> G 0.75 L 0.09 C 0.08 R 0.04
C Shift Assignments>> C :: 174.66(D) CA :: 45.24(D)
Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42)
H Shift Assignments>> H :: 8.539(D) HA2 :: 3.549(D) HA3 :: 4.411(D)
Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4)
N Shift Assignments>> N :: 111.86(D)
Ave N Shift Values>> N :: 109.91(4.29)
E49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.42 E 0.32 M 0.2 I 0.02 Q 0.01 K 0.01
HN Overlap>> H66
C Shift Assignments>> C :: 176.61(D) CA :: 56.057(D) CB :: 31.93(D) CG :: 36.632
Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85)
H Shift Assignments>> H :: 8.253(D) HA :: 4.453(D) HB2 :: 2.363(D) HB3 :: 2.542(D) HG2 :: 2.27 HG3 :: 2.426
Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21)
N Shift Assignments>> N :: 121.04(D)
Ave N Shift Values>> N :: 120.68(3.68)
G50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> G 0.36 L 0.23 R 0.21 C 0.1 F 0.02 D 0.02 Y 0.01
C Shift Assignments>> C :: 173.07(D) CA :: 44.293(D)
Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42)
H Shift Assignments>> H :: 8.278(D) HA2 :: 3.963(D) HA3 :: 4.701(D)
Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4)
N Shift Assignments>> N :: 105.2(D)
Ave N Shift Values>> N :: 109.91(4.29)
M51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.27 M 0.24 Q 0.19 E 0.18 K 0.08
C Shift Assignments>> C :: 175.32(D) CA :: 55.891(D) CB :: 34.461(D) CG :: 31.128
Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42)
H Shift Assignments>> H :: 8.345(D) HA :: 4.331(D) HB2 :: 1.795(D) HB3 :: 1.918(D) HG2 :: 2.108 HG3 :: 2.225
Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4)
HE :: 1.86(0.47)
N Shift Assignments>> N :: 114.84(D)
Ave N Shift Values>> N :: 120.1(3.88)
H52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.66 Y 0.13 H 0.12 W 0.07
C Shift Assignments>> C :: 177.2(D) CA :: 57.86(D) CB :: 34.388(D) CD2 :: 118.20
Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58)
H Shift Assignments>> H :: 8.688(D) HA :: 4.277(D) HB2 :: 2.81(D) HB3 :: 2.988(D) HD2 :: 7.16
Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5)
HE1 :: 8.08(0.57) HE2 :: 10.43(3.11)
N Shift Assignments>> N :: 122.45(D)
Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86)
Y53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> Y 0.59 C 0.4
C Shift Assignments>> C :: 176.71 CA :: 60.921(D) CB :: 37.522(D) CD1 :: 133.4 CD2 :: 133.4 CE1 :: 118.19
CE2 :: 118.19
Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99)
CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5)
H Shift Assignments>> H :: 8.082(D) HA :: 3.963(D) HB2 :: 2.738(D) HB3 :: 2.99(D) HD1 :: 6.853 HD2 :: 6.853
HE1 :: 6.722 HE2 :: 6.722
Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68)
HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34)
N Shift Assignments>> N :: 128.43(D)
Ave N Shift Values>> N :: 120.79(4.69)
G54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent
PRTL>> G 0.58 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 Y 0.01
C Shift Assignments>> C :: 177.4(D) CA :: 44.764(D)
Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42)
H Shift Assignments>> H :: 11.306(S) HA2 :: 1.572(S) HA3 :: 2.99(D)
Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4)
N Shift Assignments>> N :: 116.25
Ave N Shift Values>> N :: 109.91(4.29)
T55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> T 0.87 C 0.12
C Shift Assignments>> C :: 174.75(D) CA :: 66.499(D) CB :: 68.959(D) CG2 :: 24.342
Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39)
H Shift Assignments>> H :: 6.675(D) HA :: 3.683(D) HB :: 4.249(D) HG2 :: 1.213
Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28)
HG22 :: 1.16(0.28) HG23 :: 1.16(0.28)
N Shift Assignments>> N :: 120.29(D)
Ave N Shift Values>> N :: 115.7(5.05)
K56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> K 0.45 C 0.4 R 0.11 M 0.01
C Shift Assignments>> C :: 177.46(D) CA :: 60.306(D) CB :: 32.436(D) CG :: 24.935 CD :: 29.3 CE :: 41.664
Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98)
H Shift Assignments>> H :: 7.823(D) HA :: 3.297(D) HB2 :: 1.54(D) HB3 :: 1.658(D) HG2 :: 1.294 HG3 :: 1.362
HD2 :: 1.813 HD3 :: 1.835 HE2 :: 2.923 HE3 :: 2.963
Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29)
HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36)
N Shift Assignments>> N :: 122.74(D)
Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41)
N57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.24 Y 0.19 N 0.15 F 0.13 E 0.1 D 0.07 I 0.03 M 0.02 L 0.02
C Shift Assignments>> C :: 177.47(D) CA :: 55.714(D) CB :: 37.986(D)
Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33)
H Shift Assignments>> H :: 8.598(D) HA :: 4.198(D) HB2 :: 2.48(D) HB3 :: 2.48(D) HD21 :: 7.566 HD22 :: 6.746
Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52)
N Shift Assignments>> N :: 115.66(D) ND2 :: 112.36
Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6)
K58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.4 R 0.34 K 0.21 L 0.02
C Shift Assignments>> C :: 177.16(D) CA :: 57.068(D) CB :: 30.402(D) CG :: 23.362 CD :: 27.01 CE :: 41.53
Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98)
H Shift Assignments>> H :: 6.962(D) HA :: 4.032(D) HB2 :: 1.814(D) HB3 :: 1.814(D) HG2 :: 1.112 HG3 :: 1.483
HD2 :: 1.568 HD3 :: 1.568 HE2 :: 2.413 HE3 :: 2.711
Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29)
HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36)
N Shift Assignments>> N :: 120.11(D)
Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41)
L59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.76 L 0.15 R 0.04 A 0.02
C Shift Assignments>> C :: 178.96(D) CA :: 57.649(D) CB :: 40.348(D) CG :: 26.286 CD1 :: 22.028 CD2 :: 27.533
Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78)
H Shift Assignments>> H :: 7.714(D) HA :: 3.795(D) HB2 :: 1.148(D) HB3 :: 1.148(D) HG :: 1.852 HD1 :: 0.831
HD2 :: 0.548
Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27)
HD2 :: 0.76(0.28)
N Shift Assignments>> N :: 116.3(D)
Ave N Shift Values>> N :: 121.98(4.07)
A60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> M 0.55 A 0.37 I 0.03 C 0.02
C Shift Assignments>> C :: 181.79(D) CA :: 55.051(D) CB :: 18.039(D)
Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85)
H Shift Assignments>> H :: 8.322(D) HA :: 4.204(D) HB :: 1.473(D)
Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25)
N Shift Assignments>> N :: 120.77(D)
Ave N Shift Values>> N :: 123.23(3.7)
Q61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.27 K 0.24 Q 0.24 E 0.09 R 0.08 M 0.02 I 0.02
C Shift Assignments>> C :: 177.27(D) CA :: 58.481(D) CB :: 28.396(D) CG :: 33.636
Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17)
H Shift Assignments>> H :: 7.962(D) HA :: 3.935(D) HB2 :: 2.124(D) HB3 :: 2.18(D) HG2 :: 2.291 HG3 :: 2.517
HE21 :: 7.309 HE22 :: 6.863
Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29)
HE21 :: 7.17(0.46) HE22 :: 7.07(0.49)
N Shift Assignments>> N :: 120.14(D) NE2 :: 111.97
Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2)
L62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> L 0.58 C 0.2 A 0.17 R 0.02 G 0.01
C Shift Assignments>> C :: 175.91(D) CA :: 53.536(D) CB :: 41.978(D) CG :: 26.502 CD1 :: 25.193 CD2 :: 22.034
Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78)
H Shift Assignments>> H :: 7.066(D) HA :: 4.249(D) HB2 :: 1.473(D) HB3 :: 1.652(D) HG :: 1.463 HD1 :: 0.329
HD2 :: 0.562
Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27)
HD2 :: 0.76(0.28)
N Shift Assignments>> N :: 118.87(D)
Ave N Shift Values>> N :: 121.98(4.07)
N63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> N 0.28 C 0.27 E 0.12 Y 0.1 F 0.06 M 0.05 D 0.04 K 0.01 I 0.01
C Shift Assignments>> C :: 174.27(D) CA :: 54.256(D) CB :: 37.11(D)
Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33)
H Shift Assignments>> H :: 7.941(D) HA :: 4.26(D) HB2 :: 2.749(D) HB3 :: 3.107(D) HD21 :: 7.463 HD22 :: 6.768
Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52)
N Shift Assignments>> N :: 116.69(D) ND2 :: 112.96
Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6)
I64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> I 0.67 C 0.32
C Shift Assignments>> C :: 175.67(D) CA :: 60.836(D) CB :: 39.06(D) CG1 :: 27.872 CG2 :: 18.461 CD1 :: 14.168
Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91)
H Shift Assignments>> H :: 8.068(D) HA :: 4.075(D) HB :: 1.579(D) HG2 :: 0.887 HG12 :: 0.876 HG13 :: 1.562
HD1 :: 0.93
Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4)
HD1 :: 0.7(0.3)
N Shift Assignments>> N :: 120.33(D)
Ave N Shift Values>> N :: 121.6(4.72)
E65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious
PRTL>> E 0.38 C 0.36 I 0.12 K 0.05 M 0.05 Q 0.01
C Shift Assignments>> C :: 175.94(D) CA :: 57.951(D) CB :: 30.046(D) CG :: 36.699
Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85)
H Shift Assignments>> H :: 8.872(D) HA :: 3.868(D) HB2 :: 2.034(D) HB3 :: 2.034(D) HG2 :: 2.269 HG3 :: 2.269
Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21)
N Shift Assignments>> N :: 132.85(S)
Ave N Shift Values>> N :: 120.68(3.68)
H66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.41 W 0.38 H 0.2
HN Overlap>> E49
C Shift Assignments>> C :: 172.79 CA :: 55.067(D) CB :: 27.643(D) CD2 :: 125.29
Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58)
H Shift Assignments>> H :: 8.185(D) HA :: 3.608(D) HB2 :: 2.074 HB3 :: 2.074 HD2 :: 6.666
Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5)
HE1 :: 8.08(0.57) HE2 :: 10.43(3.11)
N Shift Assignments>> N :: 120.97(D)
Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86)
K67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.39 K 0.38 R 0.15 M 0.05
C Shift Assignments>> C :: 176.29 CA :: 57.487(D) CB :: 33.441(D) CG :: 24.722 CD :: 30.021 CE :: 41.778
Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98)
H Shift Assignments>> H :: 7.45(D) HA :: 3.958 HB2 :: 1.674 HB3 :: 1.674 HG2 :: 1.287 HG3 :: 1.287
HD2 :: 1.606 HD3 :: 1.684 HE2 :: 2.914 HE3 :: 2.967
Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29)
HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36)
N Shift Assignments>> N :: 119.61(D)
Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41)
N68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent
PRTL>> N 0.34 C 0.24 Y 0.11 E 0.08 D 0.06 F 0.06 M 0.03 L 0.01 K 0.01 I 0.01
C Shift Assignments>> C :: 173.47(D) CA :: 54.066(D) CB :: 37.46(D)
Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33)
H Shift Assignments>> H :: 8.605 HA :: 4.517 HB2 :: 2.876 HB3 :: 3.029 HD21 :: 7.68 HD22 :: 6.934
Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52)
N Shift Assignments>> N :: 115.05 ND2 :: 113.97
Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6)
F69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.46 Y 0.29 F 0.23
C Shift Assignments>> C :: 175.17(D) CA :: 58.981(D) CB :: 41.46(D) CD1 :: 133.67 CD2 :: 133.67 CE1 :: 131.56
CE2 :: 131.56
Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48)
CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68)
H Shift Assignments>> H :: 8.151(D) HA :: 4.819(D) HB2 :: 2.921(D) HB3 :: 3.212(D) HD1 :: 7.18 HD2 :: 7.18
HE1 :: 7.327 HE2 :: 7.327
Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86)
HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8)
N Shift Assignments>> N :: 121.28(D)
Ave N Shift Values>> N :: 120.69(4.18)
T70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> T 0.85 C 0.14
HN Overlap>> E133
C Shift Assignments>> C :: 172.2(D) CA :: 61.2(D) CB :: 71.822(D) CG2 :: 21.835
Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39)
H Shift Assignments>> H :: 7.767(D) HA :: 4.154(D) HB :: 3.56(D) HG2 :: 1.078
Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28)
HG22 :: 1.16(0.28) HG23 :: 1.16(0.28)
N Shift Assignments>> N :: 124.22(D)
Ave N Shift Values>> N :: 115.7(5.05)
S71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> S 0.99
C Shift Assignments>> C :: 175.55(D) CA :: 57.832(D) CB :: 63.309(D)
Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57)
H Shift Assignments>> H :: 8.937(D) HA :: 4.495(D) HB2 :: 3.866(D) HB3 :: 4.036(D)
Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16)
N Shift Assignments>> N :: 122.49(D)
Ave N Shift Values>> N :: 116.3(3.95)
K72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.57 K 0.4 M 0.01
C Shift Assignments>> C :: 177.74 CA :: 55.056(D) CB :: 35.598(D) CG :: 25.46 CD :: 29.261
Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98)
H Shift Assignments>> H :: 9.777(D) HA :: 4.853(D) HB2 :: 1.668(D) HB3 :: 1.868(D) HG2 :: 1.686 HG3 :: 1.803
HD2 :: 1.674 HD3 :: 1.78
Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29)
HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36)
N Shift Assignments>> N :: 128.53(D)
Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41)
K73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> K 0.35 C 0.35 R 0.23 M 0.03 G 0.02
C Shift Assignments>> C :: 176.04(D) CA :: 54.713(D) CB :: 34.697(D) CG :: 24.93 CD :: 29.636 CE :: 42.517
Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98)
H Shift Assignments>> H :: 8.068(D) HA :: 4.735(D) HB2 :: 1.719(D) HB3 :: 2.055(D) HG2 :: 1.213 HG3 :: 1.793
HD2 :: 1.674 HD3 :: 1.674 HE2 :: 3.002 HE3 :: 3.052
Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29)
HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36)
N Shift Assignments>> N :: 122.46(D)
Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41)
L74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.41 R 0.36 L 0.11 G 0.06 K 0.04
C Shift Assignments>> C :: 174.46(D) CA :: 56.126(D) CB :: 42.88(D) CG :: 25.241 CD1 :: 27.505 CD2 :: 27.481
Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78)
H Shift Assignments>> H :: 9.319(D) HA :: 3.723(D) HB2 :: 0.813(D) HB3 :: 1.641(D) HG :: 0.635 HD1 :: 0.541
HD2 :: 0.354
Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27)
HD2 :: 0.76(0.28)
N Shift Assignments>> N :: 125.78(D)
Ave N Shift Values>> N :: 121.98(4.07)
T75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.5 T 0.45 A 0.03
C Shift Assignments>> C :: 174.8 CA :: 58.599(D) CB :: 72.905(D) CG2 :: 21.398
Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39)
H Shift Assignments>> H :: 6.347(D) HA :: 4.864(D) HB :: 4.695(D) HG2 :: 1.303
Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28)
HG22 :: 1.16(0.28) HG23 :: 1.16(0.28)
N Shift Assignments>> N :: 113.3(D)
Ave N Shift Values>> N :: 115.7(5.05)
Q76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent
PRTL>> C 0.27 K 0.25 Q 0.23 R 0.09 E 0.07 M 0.04 I 0.01
C Shift Assignments>> C :: 177.02(D) CA :: 58.834(D) CB :: 28.719(D) CG :: 33.311
Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17)
H Shift Assignments>> H :: 9.496 HA :: 3.862(D) HB2 :: 2.196(D) HB3 :: 2.522(D) HG2 :: 2.44 HG3 :: 2.44
Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29)
HE21 :: 7.17(0.46) HE22 :: 7.07(0.49)
N Shift Assignments>> N :: 123.7
Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2)
K77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> K 0.41 C 0.38 R 0.16 M 0.02 G 0.01
C Shift Assignments>> C :: 178.22(D) CA :: 59.659(D) CB :: 32.577(D) CG :: 24.639 CD :: 29.293 CE :: 42.202
Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98)
H Shift Assignments>> H :: 8.177(D) HA :: 4.092(D) HB2 :: 1.652(D) HB3 :: 1.842(D) HG2 :: 1.28 HG3 :: 1.427
HD2 :: 1.657 HD3 :: 1.657 HE2 :: 2.967
Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29)
HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36)
N Shift Assignments>> N :: 119.99(D)
Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41)
L78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> L 0.52 C 0.34 R 0.07 G 0.05
HN Overlap>> C79
C Shift Assignments>> C :: 179.9(D) CA :: 57.49(D) CB :: 42.762(D) CG :: 25.971 CD1 :: 23.476 CD2 :: 25.976
Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78)
H Shift Assignments>> H :: 7.445(D) HA :: 3.98(D) HB2 :: 1.255(D) HB3 :: 1.651(D) HG :: 0.901 HD1 :: 0.819
HD2 :: 0.909
Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27)
HD2 :: 0.76(0.28)
N Shift Assignments>> N :: 118.36(D)
Ave N Shift Values>> N :: 121.98(4.07)
C79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> I 0.45 P 0.41 C 0.06 V 0.03
HN Overlap>> L78
C Shift Assignments>> C :: 176.67(D) CA :: 64.428(D) CB :: 25.723(D)
Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77)
H Shift Assignments>> H :: 7.543(D) HA :: 3.795(D) HB2 :: 2.452(D) HB3 :: 3.23(D)
Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48)
N Shift Assignments>> N :: 118.36(D)
Ave N Shift Values>> N :: 119.95(4.79)
D80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> F 0.22 Y 0.21 C 0.17 D 0.11 L 0.1 K 0.06 I 0.04 N 0.03
C Shift Assignments>> C :: 177.88(D) CA :: 57.037(D) CB :: 40.172(D)
Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84)
H Shift Assignments>> H :: 8.546(D) HA :: 4.114(D) HB2 :: 2.673(D) HB3 :: 2.796(D)
Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29)
N Shift Assignments>> N :: 119.6(D)
Ave N Shift Values>> N :: 120.73(4.2)
E81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> E 0.38 C 0.36 M 0.09 K 0.07 I 0.05 Q 0.03
C Shift Assignments>> C :: 176.41(D) CA :: 56.633(D) CB :: 30.211(D) CG :: 36.51
Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85)
H Shift Assignments>> H :: 7.799(D) HA :: 4.126(D) HB2 :: 1.971(D) HB3 :: 1.971(D) HG2 :: 2.304 HG3 :: 2.304
Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21)
N Shift Assignments>> N :: 116.88(D)
Ave N Shift Values>> N :: 120.68(3.68)
S82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> S 0.99
C Shift Assignments>> C :: 171.79(D) CA :: 59.129(D) CB :: 64.309(D)
Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57)
H Shift Assignments>> H :: 7.174(D) HA :: 4.467(D) HB2 :: 3.541(D) HB3 :: 3.62(D)
Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16)
N Shift Assignments>> N :: 115.46(D)
Ave N Shift Values>> N :: 116.3(3.95)
D83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> R 0.3 L 0.26 C 0.13 G 0.11 F 0.05 D 0.04 K 0.04 Y 0.03
C Shift Assignments>> C :: 174.75(D) CA :: 56.46(D) CB :: 43.822(D)
Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84)
H Shift Assignments>> H :: 8.999(D) HA :: 4.461(D) HB2 :: 2.16(D) HB3 :: 2.535(D)
Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29)
N Shift Assignments>> N :: 122.89(D)
Ave N Shift Values>> N :: 120.73(4.2)
F84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> F 0.31 C 0.26 Y 0.26 G 0.14
C Shift Assignments>> C :: 173.34(D) CA :: 56.79(D) CB :: 43.527(D) CD1 :: 131.96 CD2 :: 131.96
Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48)
CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68)
H Shift Assignments>> H :: 7.442(D) HA :: 5.144(D) HB2 :: 2.514(D) HB3 :: 2.9(D) HD1 :: 7.08 HD2 :: 7.08
Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86)
HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8)
N Shift Assignments>> N :: 111.88(D)
Ave N Shift Values>> N :: 120.69(4.18)
L85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> L 0.41 K 0.25 C 0.21 R 0.1 G 0.01
C Shift Assignments>> C :: 174.1(D) CA :: 52.947(D) CB :: 42.006(D) CG :: 27.566 CD2 :: 26.25
Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78)
H Shift Assignments>> H :: 8.715(D) HA :: 5.054(D) HB2 :: 1.221(D) HB3 :: 1.764(D) HG :: 1.475 HD2 :: 0.741
Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27)
HD2 :: 0.76(0.28)
N Shift Assignments>> N :: 125.79(D)
Ave N Shift Values>> N :: 121.98(4.07)
I86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.5 I 0.48
HN Overlap>> D124
C Shift Assignments>> C :: 176.09(D) CA :: 59.109(D) CB :: 37.11(D) CG1 :: 26.495 CG2 :: 18.777 CD1 :: 14.218
Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91)
H Shift Assignments>> H :: 9.098(D) HA :: 5.368(D) HB :: 1.842(D) HG2 :: 0.938 HG12 :: 0.974 HG13 :: 1.011
HD1 :: 0.46
Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4)
HD1 :: 0.7(0.3)
N Shift Assignments>> N :: 124.21(D)
Ave N Shift Values>> N :: 121.6(4.72)
T87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> T 0.85 C 0.14
C Shift Assignments>> C :: 175.82(D) CA :: 61.189(D) CB :: 70.432(D) CG2 :: 22.744
Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39)
H Shift Assignments>> H :: 9.17(D) HA :: 5.219(D) HB :: 4.574(D) HG2 :: 1.086
Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28)
HG22 :: 1.16(0.28) HG23 :: 1.16(0.28)
N Shift Assignments>> N :: 118.19(D)
Ave N Shift Values>> N :: 115.7(5.05)
M88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> M 0.41 C 0.36 Q 0.12 K 0.05 E 0.02 R 0.01
C Shift Assignments>> C :: 177.73(D) CA :: 55.714(D) CB :: 31.945(D) CG :: 32.357
Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42)
H Shift Assignments>> H :: 7.563(D) HA :: 5.058(D) HB2 :: 1.717(D) HB3 :: 2.008 HG2 :: 1.947 HG3 :: 1.947
Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4)
HE :: 1.86(0.47)
N Shift Assignments>> N :: 116.12(D)
Ave N Shift Values>> N :: 120.1(3.88)
D89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> L 0.28 D 0.19 R 0.15 C 0.12 G 0.08 K 0.05 N 0.03 F 0.02 Y 0.02
C Shift Assignments>> C :: 177.08(D) CA :: 52.535(D) CB :: 43.029(D)
Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84)
H Shift Assignments>> H :: 8.671(D) HA :: 5.155(D) HB2 :: 2.475(D) HB3 :: 3.644(D)
Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29)
N Shift Assignments>> N :: 121.86(D)
Ave N Shift Values>> N :: 120.73(4.2)
N90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.25 Y 0.21 F 0.14 E 0.13 N 0.09 D 0.05 I 0.04 M 0.02 L 0.01
C Shift Assignments>> C :: 178.12(D) CA :: 56.303(D) CB :: 37.866(D)
Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33)
H Shift Assignments>> H :: 9.91(D) HA :: 4.713(D) HB2 :: 2.777(D) HB3 :: 2.868(D) HD21 :: 7.464 HD22 :: 6.968
Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52)
N Shift Assignments>> N :: 119.2(D) ND2 :: 113.7
Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6)
S91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> S 0.99
C Shift Assignments>> C :: 177.32(D) CA :: 61.484(D) CB :: 62.426(D)
Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57)
H Shift Assignments>> H :: 8.654(D) HA :: 4.372(D) HB2 :: 4.075(D) HB3 :: 4.075(D)
Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16)
N Shift Assignments>> N :: 120.98(D)
Ave N Shift Values>> N :: 116.3(3.95)
N92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> K 0.22 L 0.19 F 0.12 D 0.11 C 0.11 R 0.1 Y 0.09 N 0.01 I 0.01
C Shift Assignments>> C :: 176.21(D) CA :: 56.538(D) CB :: 41.758(D)
Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33)
H Shift Assignments>> H :: 9.142(D) HA :: 4.698(D) HB2 :: 2.647(D) HB3 :: 3.246(D) HD21 :: 8.499 HD22 :: 5.896
Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52)
N Shift Assignments>> N :: 122.18(D) ND2 :: 108.83
Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6)
F93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> F 0.42 Y 0.39 C 0.17
C Shift Assignments>> C :: 175.71(D) CA :: 62.602(D) CB :: 39.642(D) CD1 :: 132.03 CD2 :: 132.03
Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48)
CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68)
H Shift Assignments>> H :: 8.032(D) HA :: 4.042(D) HB2 :: 3.331(D) HB3 :: 3.331(D) HD1 :: 7.228 HD2 :: 7.228
Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86)
HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8)
N Shift Assignments>> N :: 119.83(D)
Ave N Shift Values>> N :: 120.69(4.18)
K94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> K 0.42 C 0.38 R 0.17 M 0.01 G 0.01
C Shift Assignments>> C :: 179.11(D) CA :: 59.834(D) CB :: 32.224(D) CG :: 25.096 CD :: 29.335 CE :: 42.088
Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98)
H Shift Assignments>> H :: 8.079(D) HA :: 3.896(D) HB2 :: 1.93(D) HB3 :: 2.021(D) HG2 :: 1.573 HG3 :: 1.801
HD2 :: 1.775 HE2 :: 3.001
Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29)
HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36)
N Shift Assignments>> N :: 116.33(D)
Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41)
N95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> Y 0.24 F 0.21 C 0.21 D 0.1 N 0.06 I 0.05 L 0.05 E 0.03
C Shift Assignments>> C :: 177.85(D) CA :: 56.715(D) CB :: 39.053(D)
Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33)
H Shift Assignments>> H :: 8.238(D) HA :: 4.389(D) HB2 :: 2.928(D) HB3 :: 3.031(D) HD21 :: 7.51 HD22 :: 6.861
Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52)
N Shift Assignments>> N :: 118.18(D) ND2 :: 112.93
Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6)
V96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> V 0.89 C 0.1
C Shift Assignments>> C :: 176.85(D) CA :: 66.405(D) CB :: 31.43(D) CG1 :: 24.033 CG2 :: 22.435
Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76)
H Shift Assignments>> H :: 8.302(D) HA :: 3.807(D) HB :: 2.005(D) HG1 :: 0.927 HG2 :: 0.786
Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29)
N Shift Assignments>> N :: 120.44(D)
Ave N Shift Values>> N :: 121.02(4.96)
L97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> L 0.48 C 0.31 R 0.15 G 0.03
C Shift Assignments>> C :: 178.96(D) CA :: 56.833(D) CB :: 42.644(D) CG :: 27.318 CD1 :: 23.465 CD2 :: 25.402
Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78)
H Shift Assignments>> H :: 7.285(D) HA :: 4.064(D) HB2 :: 1.35(D) HB3 :: 1.563(D) HG :: 1.359 HD1 :: 0.696
HD2 :: 0.427
Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27)
HD2 :: 0.76(0.28)
N Shift Assignments>> N :: 116.98(D)
Ave N Shift Values>> N :: 121.98(4.07)
K98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.41 K 0.41 R 0.13 M 0.02
C Shift Assignments>> C :: 178.47(D) CA :: 57.657(D) CB :: 33.637(D) CG :: 24.648 CD :: 29.075 CE :: 41.932
Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98)
H Shift Assignments>> H :: 7.891(D) HA :: 4.243(D) HB2 :: 1.764(D) HB3 :: 1.882(D) HG2 :: 1.382 HG3 :: 1.382
HD2 :: 1.573 HD3 :: 1.573 HE2 :: 3.001 HE3 :: 3.001
Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29)
HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36)
N Shift Assignments>> N :: 116(D)
Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41)
N99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> N 0.27 D 0.26 C 0.14 Y 0.1 F 0.09 L 0.08 K 0.01
C Shift Assignments>> C :: 173.44(D) CA :: 53.958(D) CB :: 39.661(D)
Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33)
H Shift Assignments>> H :: 7.92(D) HA :: 4.507(D) HB2 :: 2.072(D) HB3 :: 2.447(D) HD21 :: 7.299 HD22 :: 6.965
Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52)
N Shift Assignments>> N :: 114.32(D) ND2 :: 113.71
Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6)
F100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> F 0.38 Y 0.36 C 0.24
C Shift Assignments>> C :: 175.06(D) CA :: 56.833(D) CB :: 41.985(D) CD1 :: 132.42 CD2 :: 132.42 CE1 :: 130.35
CE2 :: 130.35
Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48)
CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68)
H Shift Assignments>> H :: 7.378(D) HA :: 4.915(D) HB2 :: 2.883(D) HB3 :: 3.101(D) HD1 :: 7.231 HD2 :: 7.231
HE1 :: 7.089 HE2 :: 7.089
Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86)
HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8)
N Shift Assignments>> N :: 118.2(D)
Ave N Shift Values>> N :: 120.69(4.18)
T101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> T 0.9 C 0.09
C Shift Assignments>> C :: 175.42 CA :: 61.248(D) CB :: 70.197(D) CG2 :: 21.79
Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39)
H Shift Assignments>> H :: 9.471(D) HA :: 4.433(D) HB :: 4.226(D) HG2 :: 1.223
Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28)
HG22 :: 1.16(0.28) HG23 :: 1.16(0.28)
N Shift Assignments>> N :: 116.62(D)
Ave N Shift Values>> N :: 115.7(5.05)
N102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.27 N 0.26 E 0.13 Y 0.11 F 0.06 M 0.05 D 0.04 K 0.01 I 0.01
C Shift Assignments>> C :: 175.7(D) CA :: 54.478 CB :: 37.11
Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33)
H Shift Assignments>> H :: 9.167(D) HA :: 4.601(D) HB2 :: 2.816(D) HB3 :: 3.101(D) HD21 :: 7.84 HD22 :: 6.862
Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52)
N Shift Assignments>> N :: 117.15(D) ND2 :: 114.41
Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6)
T103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> T 0.86 C 0.13
C Shift Assignments>> C :: 176.84(D) CA :: 61.719(D) CB :: 70.02(D) CG2 :: 22.913
Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39)
H Shift Assignments>> H :: 8.236(D) HA :: 4.126(D) HB :: 4.024 HG2 :: 0.954
Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28)
HG22 :: 1.16(0.28) HG23 :: 1.16(0.28)
N Shift Assignments>> N :: 106.28(D)
Ave N Shift Values>> N :: 115.7(5.05)
Q104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.31 K 0.22 Q 0.19 R 0.11 E 0.05 P 0.03 I 0.03 M 0.01
C Shift Assignments>> C :: 176.91 CA :: 59.6 CB :: 27.889 CG :: 33.369
Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17)
H Shift Assignments>> H :: 8.705(D) HA :: 3.89 HB2 :: 2.077 HB3 :: 2.168 HG2 :: 2.427 HG3 :: 2.427
HE21 :: 7.534 HE22 :: 6.895
Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29)
HE21 :: 7.17(0.46) HE22 :: 7.07(0.49)
N Shift Assignments>> N :: 123.02(D) NE2 :: 112.68
Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2)
N105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent
PRTL>> N 0.36 C 0.2 D 0.12 Y 0.12 F 0.08 E 0.04 L 0.02 M 0.01 I 0.01
C Shift Assignments>> C :: 175.22(D) CA :: 54.102(D) CB :: 38.17(D)
Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33)
H Shift Assignments>> H :: 8.619 HA :: 4.875(D) HB2 :: 2.833(D) HB3 :: 2.995(D) HD21 :: 7.594 HD22 :: 6.919
Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52)
N Shift Assignments>> N :: 114.86 ND2 :: 113.36
Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6)
K106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.41 K 0.32 R 0.21 M 0.03
C Shift Assignments>> C :: 175.14(D) CA :: 56.538(D) CB :: 35.461(D) CG :: 24.76 CD :: 29.977 CE :: 42.03
Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98)
H Shift Assignments>> H :: 7.857(D) HA :: 4.669(D) HB2 :: 1.641(D) HB3 :: 1.803(D) HG2 :: 1.258 HG3 :: 1.258
HD2 :: 1.454 HD3 :: 1.496 HE2 :: 2.971
Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29)
HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36)
N Shift Assignments>> N :: 117.31(D)
Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41)
V107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> V 0.57 C 0.42
C Shift Assignments>> C :: 175.35(D) CA :: 60.821(D) CB :: 33.048(D) CG1 :: 22.661 CG2 :: 22.661
Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76)
H Shift Assignments>> H :: 7.166(D) HA :: 5.457(D) HB :: 1.882(D) HG1 :: 0.921 HG2 :: 0.921
Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29)
N Shift Assignments>> N :: 118.78(D)
Ave N Shift Values>> N :: 121.02(4.96)
L108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> G 0.45 C 0.31 L 0.17 A 0.05
C Shift Assignments>> C :: 175.14(D) CA :: 53.359(D) CB :: 46.53(D) CG :: 26.831 CD1 :: 23.504 CD2 :: 26.257
Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78)
H Shift Assignments>> H :: 9.162(D) HA :: 4.898(D) HB2 :: 1.583(D) HB3 :: 1.699(D) HG :: 1.799 HD1 :: 1.029
HD2 :: 0.752
Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27)
HD2 :: 0.76(0.28)
N Shift Assignments>> N :: 128.27(D)
Ave N Shift Values>> N :: 121.98(4.07)
K109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> K 0.4 C 0.35 R 0.2 M 0.03
C Shift Assignments>> C :: 179.14(D) CA :: 55.832(D) CB :: 32.812(D) CG :: 25.269 CD :: 29.353 CE :: 41.964
Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98)
H Shift Assignments>> H :: 8.726(D) HA :: 4.6(D) HB2 :: 1.535(D) HB3 :: 1.591(D) HG2 :: 1.258 HG3 :: 1.258
HD2 :: 1.621 HD3 :: 1.686 HE2 :: 2.961
Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29)
HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36)
N Shift Assignments>> N :: 122.14(D)
Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41)
I110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.7 I 0.27
C Shift Assignments>> C :: 176.24(D) CA :: 62.661(D) CB :: 37.346(D) CG1 :: 29.508 CG2 :: 21.787 CD1 :: 14.309
Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91)
H Shift Assignments>> H :: 8.745(D) HA :: 4.232(D) HB :: 1.904(D) HG2 :: 1.223 HG12 :: 1.279 HG13 :: 1.279
HD1 :: 0.943
Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4)
HD1 :: 0.7(0.3)
N Shift Assignments>> N :: 125.45(D)
Ave N Shift Values>> N :: 121.6(4.72)
T111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> T 0.84 C 0.13 S 0.02
C Shift Assignments>> C :: 178.25(D) CA :: 63.309(D) CB :: 67.076(D) CG2 :: 22.729
Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39)
H Shift Assignments>> H :: 7.709(D) HA :: 4.327(D) HB :: 4.431(D) HG2 :: 0.819
Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28)
HG22 :: 1.16(0.28) HG23 :: 1.16(0.28)
N Shift Assignments>> N :: 109.41(D)
Ave N Shift Values>> N :: 115.7(5.05)
D112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> Y 0.24 C 0.23 F 0.18 N 0.08 D 0.07 E 0.07 I 0.05 L 0.03 M 0.01
C Shift Assignments>> C :: 176.96(D) CA :: 56.538(D) CB :: 38.464(D)
Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84)
H Shift Assignments>> H :: 7.77(D) HA :: 4.337(D) HB2 :: 2.089(D) HB3 :: 2.631(D)
Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29)
N Shift Assignments>> N :: 124.96(D)
Ave N Shift Values>> N :: 120.73(4.2)
F113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> F 0.52 C 0.47
C Shift Assignments>> C :: 173.67(D) CA :: 58.259(D) CB :: 37.649(D) CD1 :: 131.38 CD2 :: 131.38 CE1 :: 131.37
CE2 :: 131.37 CZ :: 129.19
Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48)
CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68)
H Shift Assignments>> H :: 7.951(D) HA :: 4.37(D) HB2 :: 3.115(D) HB3 :: 3.634(D) HD1 :: 7.148 HD2 :: 7.148
HE1 :: 6.732 HE2 :: 6.732 HZ :: 6.321
Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86)
HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8)
N Shift Assignments>> N :: 116.57(D)
Ave N Shift Values>> N :: 120.69(4.18)
S114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> S 0.99
HN Overlap>> E121
C Shift Assignments>> CA :: 56.419(D) CB :: 63.065(D)
Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57)
H Shift Assignments>> H :: 7.62(D) HA :: 4.991 HB2 :: 3.261(D) HB3 :: 4.248(D)
Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16)
N Shift Assignments>> N :: 113.36(D)
Ave N Shift Values>> N :: 116.3(3.95)
P115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable
PRTL>> P 0.81 C 0.18
C Shift Assignments>> C :: 177.99 CA :: 65.257 CB :: 31.049 CG :: 27.601 CD :: 51.022
Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04)
H Shift Assignments>> HA :: 4.666 HB2 :: 2.034 HB3 :: 2.214 HG2 :: 1.934 HG3 :: 2.042 HD2 :: 3.282
HD3 :: 3.474
Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36)
HD3 :: 3.63(0.4)
S116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent
PRTL>> S 0.99
C Shift Assignments>> C :: 175.03(D) CA :: 59.953(D) CB :: 62.426(D)
Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57)
H Shift Assignments>> H :: 8.259 HA :: 4.265(D) HB2 :: 3.822(D) HB3 :: 4.042(D)
Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16)
N Shift Assignments>> N :: 114.03
Ave N Shift Values>> N :: 116.3(3.95)
L117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> L 0.27 C 0.25 R 0.23 A 0.14 G 0.08
C Shift Assignments>> CA :: 54.131(D) CB :: 43.202(D) CG :: 26.941 CD1 :: 27.646 CD2 :: 22.015
Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78)
H Shift Assignments>> H :: 7.717(D) HA :: 4.61 HB2 :: 1.821 HB3 :: 2.269 HG :: 1.668 HD1 :: 1.044
HD2 :: 0.89
Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27)
HD2 :: 0.76(0.28)
N Shift Assignments>> N :: 120.28(D)
Ave N Shift Values>> N :: 121.98(4.07)
N118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent
PRTL>> N 0.33 C 0.26 Y 0.1 E 0.1 F 0.05 D 0.05 M 0.04 K 0.01
C Shift Assignments>> CA :: 53.976 CB :: 37.229
Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33)
H Shift Assignments>> H :: 8.05 HA :: 4.547 HB2 :: 2.643 HB3 :: 2.836 HD21 :: 7.37 HD22 :: 6.646
Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52)
N Shift Assignments>> N :: 114.86 ND2 :: 112.57
Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6)
Y119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> Y 0.57 C 0.42
C Shift Assignments>> C :: 176.35 CA :: 58.137(D) CB :: 39.642(D) CD1 :: 133.67 CD2 :: 133.67 CE1 :: 118.26
CE2 :: 118.26
Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99)
CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5)
H Shift Assignments>> H :: 7.821(D) HA :: 4.652 HB2 :: 2.74 HB3 :: 3.225 HD1 :: 7.177 HD2 :: 7.177
HE1 :: 6.758 HE2 :: 6.758
Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68)
HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34)
N Shift Assignments>> N :: 117(D)
Ave N Shift Values>> N :: 120.79(4.69)
D120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> D 0.25 L 0.23 K 0.14 C 0.1 R 0.07 N 0.06 F 0.06 Y 0.04
C Shift Assignments>> C :: 174.83 CA :: 53.948(D) CB :: 41.82(D)
Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84)
H Shift Assignments>> H :: 9.064(D) HA :: 4.677(D) HB2 :: 2.641(D) HB3 :: 2.686(D)
Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29)
N Shift Assignments>> N :: 122.39(D)
Ave N Shift Values>> N :: 120.73(4.2)
E121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.63 M 0.24 E 0.1 Q 0.01
HN Overlap>> S114
C Shift Assignments>> C :: 174.14 CA :: 54.595(D) CB :: 33.894(D) CG :: 35.924
Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85)
H Shift Assignments>> H :: 7.693(D) HA :: 4.444(D) HB2 :: 1.859(D) HB3 :: 2.262(D) HG2 :: 2.068 HG3 :: 2.203
Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21)
N Shift Assignments>> N :: 113.34(D)
Ave N Shift Values>> N :: 120.68(3.68)
V122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.54 V 0.45
C Shift Assignments>> CA :: 60.068(D) CB :: 32.715(D) CG1 :: 23.22 CG2 :: 22.708
Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76)
H Shift Assignments>> H :: 8.056(D) HA :: 4.103(D) HB :: 1.979 HG1 :: 0.999 HG2 :: 0.842
Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29)
N Shift Assignments>> N :: 122.06(D)
Ave N Shift Values>> N :: 121.02(4.96)
P123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable
PRTL>> P 0.74 C 0.25
C Shift Assignments>> CA :: 62.497 CB :: 32.008 CG :: 27.32 CD :: 51.074
Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04)
H Shift Assignments>> HA :: 4.428 HB2 :: 1.656 HB3 :: 2.42 HG2 :: 2.016 HG3 :: 2.016 HD2 :: 3.284
HD3 :: 3.284
Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36)
HD3 :: 3.63(0.4)
D124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> K 0.21 L 0.2 D 0.13 F 0.11 C 0.11 Y 0.09 R 0.09 N 0.01 I 0.01
HN Overlap>> I86
C Shift Assignments>> CA :: 56.225(D) CB :: 41.673(D)
Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84)
H Shift Assignments>> H :: 9.094(D) HA :: 4.741(D) HB2 :: 3.428(D) HB3 :: 2.764(D)
Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29)
N Shift Assignments>> N :: 124.13(D)
Ave N Shift Values>> N :: 120.73(4.2)
P125 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Indeterminable
PRTL>> P 0.74 C 0.25
C Shift Assignments>> C :: 177.31(D) CA :: 63.199(D) CB :: 29.127(D) CG :: 27.533 CD :: 50.199
Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04)
H Shift Assignments>> HA :: 4.958(D) HB2 :: 0.01(S) HB3 :: 1.078 HG2 :: 1.348 HG3 :: 1.562 HD2 :: 4.126
HD3 :: 4.193
Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36)
HD3 :: 3.63(0.4)
W126 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate
PRTL>> I 0.24 C 0.15 W 0.14 V 0.11 P 0.07 E 0.07 R 0.06 H 0.04 K 0.03 Q 0.03 M 0.01
C Shift Assignments>> C :: 176.61(D) CA :: 61.359(D) CB :: 29.751(D)
Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33)
CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34)
H Shift Assignments>> H :: 8.075(D) HA :: 3.683(D) HB2 :: 2.816(D) HB3 :: 3.202(D) HD1 :: 5.848(S) HE1 :: 10.277(D)
HZ2 :: 7.55
Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53)
HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94)
N Shift Assignments>> N :: 124.86(D) NE1 :: 130.2(D)
Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56)
Y127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> Y 0.6 C 0.39
C Shift Assignments>> C :: 177.61(D) CA :: 59.659(D) CB :: 39.524(D) CD1 :: 133.43 CD2 :: 133.43 CE1 :: 119.04
CE2 :: 119.04
Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99)
CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5)
H Shift Assignments>> H :: 7.117(D) HA :: 4.366(D) HB2 :: 2.944 HB3 :: 3.231 HD1 :: 7.289 HD2 :: 7.289
HE1 :: 7.036 HE2 :: 7.036
Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68)
HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34)
N Shift Assignments>> N :: 111.8(D)
Ave N Shift Values>> N :: 120.79(4.69)
S128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> S 0.99
HN Overlap>> H46
C Shift Assignments>> C :: 176.13(D) CA :: 59.541(D) CB :: 63.897(D)
Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57)
H Shift Assignments>> H :: 8.024(D) HA :: 4.352(D) HB2 :: 3.901(D) HB3 :: 4.09(D)
Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16)
N Shift Assignments>> N :: 114.73(D)
Ave N Shift Values>> N :: 116.3(3.95)
G129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> G 0.8 C 0.08 L 0.07 R 0.02
C Shift Assignments>> C :: 173.11(D) CA :: 45.614(D)
Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42)
H Shift Assignments>> H :: 8.369(D) HA2 :: 3.807(D) HA3 :: 4.159(D)
Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4)
N Shift Assignments>> N :: 111.36(D)
Ave N Shift Values>> N :: 109.91(4.29)
N130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> N 0.57 C 0.25 D 0.05 Y 0.03 M 0.02 F 0.02 E 0.01
C Shift Assignments>> C :: 175.88(D) CA :: 51.16(D) CB :: 37.287(D)
Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33)
H Shift Assignments>> H :: 7.757(D) HA :: 5.144(D) HB2 :: 2.592(D) HB3 :: 2.978(D) HD21 :: 7.738 HD22 :: 7.072
Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52)
N Shift Assignments>> N :: 118.08(D) ND2 :: 112.17
Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6)
F131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> F 0.39 Y 0.37 C 0.23
C Shift Assignments>> C :: 177.65(D) CA :: 60.204(D) CB :: 39.06(D) CD1 :: 131.76 CD2 :: 131.76
Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48)
CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68)
H Shift Assignments>> H :: 8.798(D) HA :: 4.377 HB2 :: 2.693 HB3 :: 2.956 HD1 :: 7.01 HD2 :: 7.01
Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86)
HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8)
N Shift Assignments>> N :: 124.76(D)
Ave N Shift Values>> N :: 120.69(4.18)
D132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> F 0.26 Y 0.25 C 0.18 I 0.09 D 0.06 L 0.06 K 0.03 N 0.01 E 0.01
C Shift Assignments>> C :: 179.07(D) CA :: 57.951(D) CB :: 39.821(D)
Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84)
H Shift Assignments>> H :: 8.315(D) HA :: 4.405(D) HB2 :: 2.758(D) HB3 :: 2.95(D)
Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29)
N Shift Assignments>> N :: 123.49(D)
Ave N Shift Values>> N :: 120.73(4.2)
E133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> E 0.32 C 0.32 M 0.11 Q 0.08 K 0.07 I 0.06
HN Overlap>> T70
C Shift Assignments>> C :: 176.46(D) CA :: 58.551(D) CB :: 30.606(D) CG :: 35.523
Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85)
H Shift Assignments>> H :: 7.693(D) HA :: 3.946(D) HB2 :: 1.809(D) HB3 :: 1.96(D) HG2 :: 1.91 HG3 :: 2.101
Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21)
N Shift Assignments>> N :: 124.29(D)
Ave N Shift Values>> N :: 120.68(3.68)
T134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.55 T 0.44
C Shift Assignments>> C :: 176.09(D) CA :: 66.685(D) CB :: 68.195(D) CG2 :: 25.396
Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39)
H Shift Assignments>> H :: 7.093(D) HA :: 3.527(D) HB :: 3.863(D) HG2 :: 1.157
Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28)
HG22 :: 1.16(0.28) HG23 :: 1.16(0.28)
N Shift Assignments>> N :: 114.07(D)
Ave N Shift Values>> N :: 115.7(5.05)
Y135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> Y 0.72 C 0.27
C Shift Assignments>> C :: 177.27(D) CA :: 62.602(D) CB :: 38.7(D) CD1 :: 132.64 CD2 :: 132.64 CE1 :: 118.80
CE2 :: 118.80
Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99)
CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5)
H Shift Assignments>> H :: 7.807(D) HA :: 3.874(D) HB2 :: 3.023(D) HB3 :: 3.023(D) HD1 :: 7.007 HD2 :: 7.007
HE1 :: 6.604 HE2 :: 6.604
Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68)
HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34)
N Shift Assignments>> N :: 119.36(D)
Ave N Shift Values>> N :: 120.79(4.69)
K136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> K 0.43 C 0.39 R 0.14 M 0.01
C Shift Assignments>> C :: 177.74(D) CA :: 60.012(D) CB :: 31.93(D) CG :: 24.982 CD :: 29.392 CE :: 41.702
Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98)
H Shift Assignments>> H :: 8.418(D) HA :: 3.672(D) HB2 :: 2.001(D) HB3 :: 2.05(D) HG2 :: 1.285 HG3 :: 1.597
HD2 :: 1.786 HE2 :: 2.986
Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29)
HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36)
N Shift Assignments>> N :: 124.2(D)
Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41)
I137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> I 0.9 C 0.08
C Shift Assignments>> C :: 177.26(D) CA :: 64.41(D) CB :: 39.599(D) CG1 :: 28.461 CG2 :: 17.449 CD1 :: 14.287
Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91)
H Shift Assignments>> H :: 7.386(D) HA :: 3.538(D) HB :: 1.372(D) HG2 :: 0.662 HG12 :: 0.302 HG13 :: 1.512
HD1 :: -0.087
Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4)
HD1 :: 0.7(0.3)
N Shift Assignments>> N :: 115.29(D)
Ave N Shift Values>> N :: 121.6(4.72)
L138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> L 0.57 C 0.34 G 0.04 R 0.03
C Shift Assignments>> C :: 179.16(D) CA :: 57.384(D) CB :: 42.762(D) CG :: 26.97 CD1 :: 23.809 CD2 :: 23.809
Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78)
H Shift Assignments>> H :: 8.184(D) HA :: 3.823(D) HB2 :: 0.902(D) HB3 :: 1.541(D) HG :: 1.37 HD1 :: 0.712
HD2 :: 0.712
Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27)
HD2 :: 0.76(0.28)
N Shift Assignments>> N :: 115.35(D)
Ave N Shift Values>> N :: 121.98(4.07)
S139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> S 0.99
C Shift Assignments>> C :: 176.02(D) CA :: 60.057(D) CB :: 61.008(D)
Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57)
H Shift Assignments>> H :: 8.759(D) HA :: 3.644(D) HB2 :: 2.99(D) HB3 :: 3.448(D)
Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16)
N Shift Assignments>> N :: 115.42(D)
Ave N Shift Values>> N :: 116.3(3.95)
L140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> L 0.42 C 0.34 R 0.18 G 0.03
C Shift Assignments>> C :: 177.95(D) CA :: 57.528(D) CB :: 42.585(D) CG :: 27.196 CD1 :: 23.331 CD2 :: 26.065
Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78)
H Shift Assignments>> H :: 6.448(D) HA :: 4.193(D) HB2 :: 1.706(D) HB3 :: 1.795(D) HG :: 1.517 HD1 :: 0.977
HD2 :: 0.901
Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27)
HD2 :: 0.76(0.28)
N Shift Assignments>> N :: 124.4(D)
Ave N Shift Values>> N :: 121.98(4.07)
A141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> M 0.46 A 0.43 C 0.04 L 0.01 I 0.01 V 0.01
C Shift Assignments>> C :: 180.73(D) CA :: 54.949(D) CB :: 19.39(D)
Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85)
H Shift Assignments>> H :: 8.712(D) HA :: 4.187(D) HB :: 1.383(D)
Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25)
N Shift Assignments>> N :: 120.42(D)
Ave N Shift Values>> N :: 123.23(3.7)
C142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> P 0.48 I 0.43 C 0.04 V 0.01
C Shift Assignments>> C :: 175.91(D) CA :: 65.134(D) CB :: 27.545(D)
Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77)
H Shift Assignments>> H :: 8.783(D) HA :: 3.941(D) HB2 :: 2.793(D) HB3 :: 2.841(D)
Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48)
N Shift Assignments>> N :: 113.07(D)
Ave N Shift Values>> N :: 119.95(4.79)
K143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> K 0.4 C 0.38 R 0.18 M 0.01 G 0.01
C Shift Assignments>> C :: 178.78(D) CA :: 60.247(D) CB :: 31.811(D) CG :: 25.199 CD :: 29.488 CE :: 42.094
Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98)
H Shift Assignments>> H :: 7.003(D) HA :: 3.878(D) HB2 :: 1.931(D) HB3 :: 2.034(D) HG2 :: 1.42 HG3 :: 1.584
HD2 :: 1.685 HD3 :: 1.775 HE2 :: 2.956
Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29)
HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36)
N Shift Assignments>> N :: 120.66(D)
Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41)
N144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.25 N 0.18 Y 0.16 E 0.12 F 0.1 D 0.06 M 0.03 I 0.02 L 0.01 K 0.01
C Shift Assignments>> C :: 179.13(D) CA :: 55.337(D) CB :: 37.64(D)
Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33)
H Shift Assignments>> H :: 7.921(D) HA :: 4.669(D) HB2 :: 3.101(D) HB3 :: 3.627(D) HD21 :: 8.058 HD22 :: 6.725
Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52)
N Shift Assignments>> N :: 119.06(D) ND2 :: 111.9
Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6)
L145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.51 L 0.32 R 0.12 A 0.02
C Shift Assignments>> C :: 177.51(D) CA :: 57.548(D) CB :: 41.526(D) CG :: 26.812 CD1 :: 21.957 CD2 :: 26.577
Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78)
H Shift Assignments>> H :: 9.153(D) HA :: 3.542(D) HB2 :: 0.908(D) HB3 :: 1.725(D) HG :: 0.974 HD1 :: -0.065
HD2 :: 0.597
Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27)
HD2 :: 0.76(0.28)
N Shift Assignments>> N :: 126.79(D)
Ave N Shift Values>> N :: 121.98(4.07)
L146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> C 0.51 L 0.45 R 0.02
C Shift Assignments>> C :: 179.01(D) CA :: 58.256(D) CB :: 40.643(D) CG :: 26.628 CD1 :: 23.723 CD2 :: 26.26
Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78)
H Shift Assignments>> H :: 8.057(D) HA :: 3.711(D) HB2 :: 1.304(D) HB3 :: 2.061(D) HG :: 1.47 HD1 :: 0.55
HD2 :: 0.741
Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27)
HD2 :: 0.76(0.28)
N Shift Assignments>> N :: 120.57(D)
Ave N Shift Values>> N :: 121.98(4.07)
V147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> V 0.96 C 0.03
HN Overlap>> D24
C Shift Assignments>> C :: 178.25(D) CA :: 66.636(D) CB :: 31.599(D) CG1 :: 22.455 CG2 :: 21.031
Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76)
H Shift Assignments>> H :: 7.486(D) HA :: 3.549(D) HB :: 2.301(D) HG1 :: 1.17 HG2 :: 1.023
Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29)
N Shift Assignments>> N :: 120.75(D)
Ave N Shift Values>> N :: 121.02(4.96)
F148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> Y 0.41 F 0.38 C 0.19
C Shift Assignments>> C :: 177.83(D) CA :: 61.374(D) CB :: 39.465(D) CD1 :: 132.2 CD2 :: 132.2
Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48)
CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68)
H Shift Assignments>> H :: 7.736(D) HA :: 4.366(D) HB2 :: 3.23(D) HB3 :: 3.504(D) HD1 :: 7.129 HD2 :: 7.129
HE1 :: 7.221 HE2 :: 7.221
Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86)
HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8)
N Shift Assignments>> N :: 121.34(D)
Ave N Shift Values>> N :: 120.69(4.18)
L149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> L 0.48 C 0.33 R 0.09 A 0.05 G 0.02
C Shift Assignments>> C :: 178.55(D) CA :: 56.48(D) CB :: 42.35(D) CG :: 26.116 CD1 :: 26.359 CD2 :: 21.871
Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78)
H Shift Assignments>> H :: 8.686(D) HA :: 3.773(D) HB2 :: 1.283(D) HB3 :: 1.654(D) HG :: 1.681 HD1 :: 0.274
HD2 :: 0.207
Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27)
HD2 :: 0.76(0.28)
N Shift Assignments>> N :: 118.21(D)
Ave N Shift Values>> N :: 121.98(4.07)
S150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> S 0.99
C Shift Assignments>> C :: 174.77(D) CA :: 60.306(D) CB :: 64.036(D)
Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57)
H Shift Assignments>> H :: 8.097(D) HA :: 4.463(D) HB2 :: 3.878(D) HB3 :: 4.081(D)
Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16)
N Shift Assignments>> N :: 113.9(D)
Ave N Shift Values>> N :: 116.3(3.95)
K151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate
PRTL>> K 0.38 C 0.37 R 0.18 M 0.03
C Shift Assignments>> C :: 176.61 CA :: 57.192(D) CB :: 32.695(D) CG :: 24.663 CD :: 29.046 CE :: 41.988
Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98)
H Shift Assignments>> H :: 7.488(D) HA :: 4.226(D) HB2 :: 1.722(D) HB3 :: 1.692(D) HG2 :: 1.407 HG3 :: 1.306
HD2 :: 1.584 HE2 :: 2.945
Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29)
HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36)
N Shift Assignments>> N :: 121.5(D)
Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41)
H152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent
PRTL>> H 0.15 R 0.14 W 0.12 Q 0.12 E 0.12 C 0.12 M 0.08 K 0.08 I 0.01
C Shift Assignments>> C :: 173.8 CA :: 55.891 CB :: 30.331
Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58)
H Shift Assignments>> H :: 7.921 HA :: 4.614 HB2 :: 3.124 HB3 :: 3.124
Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5)
HE1 :: 8.08(0.57) HE2 :: 10.43(3.11)
N Shift Assignments>> N :: 118.93
Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86)
H153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent
PRTL>> E 0.14 W 0.14 R 0.14 H 0.13 Q 0.12 C 0.12 K 0.08 M 0.06 I 0.02 V 0.01
C Shift Assignments>> CA :: 57.093 CB :: 30.163
Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58)
H Shift Assignments>> H :: 8.14 HA :: 4.407 HB2 :: 3.175 HB3 :: 3.175
Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5)
HE1 :: 8.08(0.57) HE2 :: 10.43(3.11)
N Shift Assignments>> N :: 125.97
Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86)
H154 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable
H155 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable
H156 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable
###########################################################################
Overall Results:
#Consistent: 12 #Clerical: 135 #Suspicious: 8 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0
Typing Results:
#Consistent: 152 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 3
Shift Relative Order (SRO) Results:
#Consistent: 156 #Suspicious: 0
C Shift Results:
#Consistent: 266 #Duplicate: 410 #Unknown: 0 #Suspicious: 1 #Anomalous: 0
H Shift Results:
#Consistent: 399 #Duplicate: 516 #Unknown: 0 #Suspicious: 8 #Anomalous: 1
N Shift Results:
#Consistent: 30 #Duplicate: 134 #Unknown: 0 #Suspicious: 1 #Anomalous: 0
Error Summary:
M1 CA = 54.949(D), Expected = 56.16, Std = 2.3400, ChiSquare = 6.0479e-01
M1 CB = 33.216(D), Expected = 32.90, Std = 2.2300, ChiSquare = 8.8731e-01
M1 HA = 4.047(D), Expected = 4.39, Std = 0.4600, ChiSquare = 4.5588e-01
M1 HB2 = 2.027(D), Expected = 2.03, Std = 0.3800, ChiSquare = 9.9370e-01
M1 HB3 = 2.027(D), Expected = 2.01, Std = 0.3600, ChiSquare = 9.6234e-01
K2 C = 175.11(D), Expected = 176.46, Std = 2.0500, ChiSquare = 5.1019e-01
K2 CA = 54.102(D), Expected = 56.84, Std = 2.2500, ChiSquare = 2.2365e-01
K2 CB = 35.445(D), Expected = 32.83, Std = 1.8800, ChiSquare = 1.6424e-01
K2 CG = 25.26(D), Expected = 24.91, Std = 1.3100, ChiSquare = 7.8933e-01
K2 H = 8.293(D), Expected = 8.22, Std = 0.6400, ChiSquare = 9.0919e-01
K2 HA = 4.866(D), Expected = 4.28, Std = 0.4500, ChiSquare = 1.9284e-01
K2 HB2 = 1.652(D), Expected = 1.79, Std = 0.2500, ChiSquare = 5.8095e-01
K2 HB3 = 1.842(D), Expected = 1.78, Std = 0.2600, ChiSquare = 8.1152e-01
K2 HG2 = 1.483(D), Expected = 1.38, Std = 0.2700, ChiSquare = 7.0285e-01
K2 HG3 = 1.55(D), Expected = 1.37, Std = 0.2900, ChiSquare = 5.3480e-01
K2 N = 125.25(D), Expected = 121.16, Std = 4.1100, ChiSquare = 3.1967e-01
K3 C = 175.97(D), Expected = 176.46, Std = 2.0500, ChiSquare = 8.1109e-01
K3 CA = 56.226(D), Expected = 56.84, Std = 2.2500, ChiSquare = 7.8494e-01
K3 CB = 33.454(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.3995e-01
K3 CG = 25.946(D), Expected = 24.91, Std = 1.3100, ChiSquare = 4.2904e-01
K3 CD = 28.802(D), Expected = 28.78, Std = 1.3900, ChiSquare = 9.8737e-01
K3 CE = 42.008(D), Expected = 41.78, Std = 0.9800, ChiSquare = 8.1603e-01
K3 H = 10.113(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.0983e-03
K3 HA = 5.474(D), Expected = 4.28, Std = 0.4500, ChiSquare = 7.9701e-03
K3 HB2 = 2.01(D), Expected = 1.79, Std = 0.2500, ChiSquare = 3.7886e-01
K3 HB3 = 2.117(D), Expected = 1.78, Std = 0.2600, ChiSquare = 1.9492e-01
K3 HG2 = 1.415(D), Expected = 1.38, Std = 0.2700, ChiSquare = 8.9686e-01
K3 HG3 = 1.573(D), Expected = 1.37, Std = 0.2900, ChiSquare = 4.8393e-01
K3 HD2 = 1.668(D), Expected = 1.61, Std = 0.2500, ChiSquare = 8.1654e-01
K3 HD3 = 1.753(D), Expected = 1.61, Std = 0.2500, ChiSquare = 5.6732e-01
K3 HE2 = 2.948(D), Expected = 2.93, Std = 0.2000, ChiSquare = 9.2829e-01
K3 HE3 = 2.948(D), Expected = 2.93, Std = 0.2000, ChiSquare = 9.2829e-01
K3 N = 124.85(D), Expected = 121.16, Std = 4.1100, ChiSquare = 3.6929e-01
I4 C = 172.87(D), Expected = 175.82, Std = 1.9500, ChiSquare = 1.3033e-01
I4 CA = 59.349(D), Expected = 61.59, Std = 2.7800, ChiSquare = 4.2018e-01
I4 CB = 39.647(D), Expected = 38.58, Std = 2.0900, ChiSquare = 6.0968e-01
I4 CG1 = 28.028(D), Expected = 27.65, Std = 2.3200, ChiSquare = 8.7057e-01
I4 CG2 = 18.061(D), Expected = 17.36, Std = 1.6000, ChiSquare = 6.6130e-01
I4 CD1 = 14.255(D), Expected = 13.41, Std = 1.9100, ChiSquare = 6.5819e-01
I4 H = 9.419(D), Expected = 8.26, Std = 0.7100, ChiSquare = 1.0260e-01
I4 HA = 4.551(D), Expected = 4.20, Std = 0.5600, ChiSquare = 5.3080e-01
I4 HB = 1.798(D), Expected = 1.80, Std = 0.3100, ChiSquare = 9.9485e-01
I4 HG2 = 0.269(D), Expected = 0.80, Std = 0.2900, ChiSquare = 6.7096e-02
I4 HG12 = 1.237(D), Expected = 1.30, Std = 0.4000, ChiSquare = 8.7485e-01
I4 HG13 = 1.407(D), Expected = 1.24, Std = 0.4000, ChiSquare = 6.7631e-01
I4 HD1 = 0.718(D), Expected = 0.70, Std = 0.3000, ChiSquare = 9.5216e-01
I4 N = 126.36(D), Expected = 121.60, Std = 4.7200, ChiSquare = 3.1323e-01
L5 C = 175.13(D), Expected = 176.97, Std = 2.0900, ChiSquare = 3.7865e-01
L5 CA = 52.922(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.1706e-01
L5 CB = 44.947(D), Expected = 42.37, Std = 1.8600, ChiSquare = 1.6590e-01
L5 CG = 27.436(D), Expected = 26.77, Std = 1.2500, ChiSquare = 5.9417e-01
L5 CD1 = 24.562(D), Expected = 24.73, Std = 1.7100, ChiSquare = 9.2174e-01
L5 H = 8.41(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.7005e-01
L5 HA = 4.836(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.7226e-01
L5 HB2 = 1.266(D), Expected = 1.63, Std = 0.3400, ChiSquare = 2.8435e-01
L5 HB3 = 1.943(D), Expected = 1.57, Std = 0.3600, ChiSquare = 3.0015e-01
L5 HG = 1.213(D), Expected = 1.54, Std = 0.3300, ChiSquare = 3.2173e-01
L5 HD1 = 0.583(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.8857e-01
L5 N = 130.47(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.6979e-02
F6 C = 175.67(D), Expected = 175.49, Std = 2.1300, ChiSquare = 9.3265e-01
F6 CA = 57.749(D), Expected = 58.25, Std = 2.7300, ChiSquare = 8.5439e-01
F6 CB = 41.98(D), Expected = 39.95, Std = 2.0400, ChiSquare = 3.1969e-01
F6 H = 8.678(D), Expected = 8.42, Std = 0.7400, ChiSquare = 7.2735e-01
F6 HA = 5.385(D), Expected = 4.62, Std = 0.5800, ChiSquare = 1.8718e-01
F6 HB2 = 2.664(D), Expected = 2.99, Std = 0.3700, ChiSquare = 3.7827e-01
F6 HB3 = 2.798(D), Expected = 2.97, Std = 0.3800, ChiSquare = 6.5081e-01
F6 N = 126.45(D), Expected = 120.69, Std = 4.1800, ChiSquare = 1.6821e-01
I7 C = 175.03(D), Expected = 175.82, Std = 1.9500, ChiSquare = 6.8538e-01
I7 CA = 60.012(D), Expected = 61.59, Std = 2.7800, ChiSquare = 5.7029e-01
I7 CB = 43.115(D), Expected = 38.58, Std = 2.0900, ChiSquare = 3.0018e-02
I7 H = 9.222(D), Expected = 8.26, Std = 0.7100, ChiSquare = 1.7544e-01
I7 HA = 5.53(D), Expected = 4.20, Std = 0.5600, ChiSquare = 1.7549e-02
I7 HB = 1.395(D), Expected = 1.80, Std = 0.3100, ChiSquare = 1.9140e-01
I7 N = 122.66(D), Expected = 121.60, Std = 4.7200, ChiSquare = 8.2231e-01
C8 C = 174(D), Expected = 174.78, Std = 1.9900, ChiSquare = 6.9509e-01
C8 CA = 57.127(D), Expected = 57.43, Std = 3.4100, ChiSquare = 9.2920e-01
C8 CB = 31.164(D), Expected = 34.15, Std = 6.7700, ChiSquare = 6.5917e-01
C8 H = 7.936(D), Expected = 8.42, Std = 0.6600, ChiSquare = 4.6336e-01
C8 HA = 5.329(D), Expected = 4.73, Std = 0.5700, ChiSquare = 2.9332e-01
C8 HB2 = 3.208(D), Expected = 2.95, Std = 0.4300, ChiSquare = 5.4851e-01
C8 HB3 = 3.471(D), Expected = 2.98, Std = 0.4500, ChiSquare = 2.7522e-01
C8 N = 123.51(D), Expected = 119.95, Std = 4.7900, ChiSquare = 4.5735e-01
N11 CA = 55.184(D), Expected = 53.43, Std = 1.9400, ChiSquare = 3.6593e-01
N11 CB = 40.289(D), Expected = 38.66, Std = 1.7800, ChiSquare = 3.6010e-01
N11 H = 9.037(D), Expected = 8.37, Std = 0.6500, ChiSquare = 3.0482e-01
N11 HA = 3.89(D), Expected = 4.70, Std = 0.3900, ChiSquare = 3.7809e-02
N11 HB2 = 2.228(D), Expected = 2.80, Std = 0.3400, ChiSquare = 9.2500e-02
N11 HB3 = 3.191(D), Expected = 2.78, Std = 0.3400, ChiSquare = 2.2673e-01
N11 N = 119.47(D), Expected = 119.13, Std = 4.4200, ChiSquare = 9.3868e-01
R14 H = 10.37(S), Expected = 8.24, Std = 0.6000, ChiSquare = 3.8523e-04
S15 H = 9.948(D), Expected = 8.29, Std = 0.6200, ChiSquare = 7.4909e-03
S15 N = 118.89(D), Expected = 116.30, Std = 3.9500, ChiSquare = 5.1202e-01
P16 C = 177.57(D), Expected = 176.70, Std = 1.6900, ChiSquare = 6.0670e-01
P16 CA = 63.625(D), Expected = 63.30, Std = 1.6400, ChiSquare = 8.4291e-01
P16 CB = 30.046(D), Expected = 31.81, Std = 1.5400, ChiSquare = 2.5202e-01
P16 CG = 29.066(D), Expected = 27.14, Std = 1.1800, ChiSquare = 1.0264e-01
P16 CD = 50.254(D), Expected = 50.28, Std = 1.0400, ChiSquare = 9.8006e-01
P16 HA = 4.069(D), Expected = 4.41, Std = 0.3600, ChiSquare = 3.4353e-01
P16 HB2 = 0.988(D), Expected = 2.05, Std = 0.3900, ChiSquare = 6.4677e-03
P16 HG2 = 1.19(D), Expected = 1.93, Std = 0.3600, ChiSquare = 3.9825e-02
P16 HG3 = 1.484(D), Expected = 1.92, Std = 0.3700, ChiSquare = 2.3865e-01
P16 HD2 = 3.17(D), Expected = 3.64, Std = 0.3600, ChiSquare = 1.9170e-01
P16 HD3 = 3.743(D), Expected = 3.63, Std = 0.4000, ChiSquare = 7.7756e-01
M17 C = 177.34(D), Expected = 176.30, Std = 2.1300, ChiSquare = 6.2536e-01
M17 CA = 60.071(D), Expected = 56.16, Std = 2.3400, ChiSquare = 9.4649e-02
M17 CB = 32.754(D), Expected = 32.90, Std = 2.2300, ChiSquare = 9.4780e-01
M17 CG = 32.815(D), Expected = 32.07, Std = 1.4500, ChiSquare = 6.0740e-01
M17 H = 6.58(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.1103e-03
M17 HA = 3.667(D), Expected = 4.39, Std = 0.4600, ChiSquare = 1.1601e-01
M17 HB2 = 2.15(D), Expected = 2.03, Std = 0.3800, ChiSquare = 7.5216e-01
M17 HB3 = 2.15(D), Expected = 2.01, Std = 0.3600, ChiSquare = 6.9736e-01
M17 HG2 = 2.451(D), Expected = 2.44, Std = 0.3600, ChiSquare = 9.7562e-01
M17 HG3 = 2.451(D), Expected = 2.41, Std = 0.4000, ChiSquare = 9.1836e-01
M17 N = 115.27(D), Expected = 120.10, Std = 3.8800, ChiSquare = 2.1319e-01
A18 C = 176.54(D), Expected = 177.80, Std = 2.1800, ChiSquare = 5.6328e-01
A18 CA = 54.776(D), Expected = 53.16, Std = 2.0600, ChiSquare = 4.3277e-01
A18 CB = 16.569(D), Expected = 18.90, Std = 1.8500, ChiSquare = 2.0767e-01
A18 H = 7.764(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.6743e-01
A18 HA = 3.314(D), Expected = 4.26, Std = 0.4200, ChiSquare = 2.4298e-02
A18 HB = 0.147(S), Expected = 1.38, Std = 0.2500, ChiSquare = 8.1392e-07
A18 N = 119.6(D), Expected = 123.23, Std = 3.7000, ChiSquare = 3.2655e-01
E19 C = 177.75(D), Expected = 176.93, Std = 2.1100, ChiSquare = 6.9755e-01
E19 CA = 58.873(D), Expected = 57.42, Std = 2.1900, ChiSquare = 5.0703e-01
E19 CB = 28.856(D), Expected = 30.07, Std = 1.8400, ChiSquare = 5.0939e-01
E19 H = 8.179(D), Expected = 8.34, Std = 0.6100, ChiSquare = 7.9183e-01
E19 HA = 3.499(D), Expected = 4.26, Std = 0.4300, ChiSquare = 7.6766e-02
E19 HB2 = 1.718(D), Expected = 2.04, Std = 0.2200, ChiSquare = 1.4329e-01
E19 HB3 = 1.825(D), Expected = 2.04, Std = 0.2300, ChiSquare = 3.4990e-01
E19 HG2 = 0.746(M), Expected = 2.31, Std = 0.2100, ChiSquare = 9.5040e-14
E19 HG3 = 1.542(S), Expected = 2.31, Std = 0.2100, ChiSquare = 2.5504e-04
E19 N = 118.06(D), Expected = 120.68, Std = 3.6800, ChiSquare = 4.7649e-01
F20 C = 179.65(D), Expected = 175.49, Std = 2.1300, ChiSquare = 5.0814e-02
F20 CA = 63.367(D), Expected = 58.25, Std = 2.7300, ChiSquare = 6.0881e-02
F20 CB = 38.406(D), Expected = 39.95, Std = 2.0400, ChiSquare = 4.4913e-01
F20 H = 7.614(D), Expected = 8.42, Std = 0.7400, ChiSquare = 2.7607e-01
F20 HA = 4.394(D), Expected = 4.62, Std = 0.5800, ChiSquare = 6.9679e-01
F20 HB2 = 2.615(D), Expected = 2.99, Std = 0.3700, ChiSquare = 3.1082e-01
F20 HB3 = 3.336(D), Expected = 2.97, Std = 0.3800, ChiSquare = 3.3547e-01
F20 N = 115.61(D), Expected = 120.69, Std = 4.1800, ChiSquare = 2.2425e-01
I21 C = 178.11(D), Expected = 175.82, Std = 1.9500, ChiSquare = 2.4025e-01
I21 CA = 66.394(D), Expected = 61.59, Std = 2.7800, ChiSquare = 8.3978e-02
I21 CB = 38.859(D), Expected = 38.58, Std = 2.0900, ChiSquare = 8.9380e-01
I21 H = 8.635(D), Expected = 8.26, Std = 0.7100, ChiSquare = 5.9738e-01
I21 HA = 3.801(D), Expected = 4.20, Std = 0.5600, ChiSquare = 4.7616e-01
I21 HB = 1.77(D), Expected = 1.80, Std = 0.3100, ChiSquare = 9.2291e-01
I21 N = 124.01(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.0964e-01
M22 C = 178.14(D), Expected = 176.30, Std = 2.1300, ChiSquare = 3.8767e-01
M22 CA = 58.069(D), Expected = 56.16, Std = 2.3400, ChiSquare = 4.1461e-01
M22 CB = 32.849(D), Expected = 32.90, Std = 2.2300, ChiSquare = 9.8175e-01
M22 H = 8.882(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.9989e-01
M22 HA = 4.103(D), Expected = 4.39, Std = 0.4600, ChiSquare = 5.3268e-01
M22 HB2 = 2.234(D), Expected = 2.03, Std = 0.3800, ChiSquare = 5.9138e-01
M22 HB3 = 2.491(D), Expected = 2.01, Std = 0.3600, ChiSquare = 1.8151e-01
M22 N = 120.28(D), Expected = 120.10, Std = 3.8800, ChiSquare = 9.6300e-01
K23 C = 178.66(D), Expected = 176.46, Std = 2.0500, ChiSquare = 2.8319e-01
K23 CA = 60.714(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.5110e-02
K23 CB = 34.359(D), Expected = 32.83, Std = 1.8800, ChiSquare = 4.1605e-01
K23 H = 8.59(D), Expected = 8.22, Std = 0.6400, ChiSquare = 5.6318e-01
K23 HA = 3.756(D), Expected = 4.28, Std = 0.4500, ChiSquare = 2.4424e-01
K23 HB2 = 1.943(D), Expected = 1.79, Std = 0.2500, ChiSquare = 5.4054e-01
K23 HB3 = 2.049(D), Expected = 1.78, Std = 0.2600, ChiSquare = 3.0085e-01
K23 N = 118.53(D), Expected = 121.16, Std = 4.1100, ChiSquare = 5.2224e-01
D24 C = 177.57(D), Expected = 176.41, Std = 1.7700, ChiSquare = 5.1223e-01
D24 CA = 58.128(D), Expected = 54.52, Std = 2.1000, ChiSquare = 8.5779e-02
D24 CB = 42.97(D), Expected = 40.70, Std = 1.6700, ChiSquare = 1.7406e-01
D24 H = 7.583(D), Expected = 8.33, Std = 0.5700, ChiSquare = 1.9002e-01
D24 HA = 4.562(D), Expected = 4.61, Std = 0.3100, ChiSquare = 8.7695e-01
D24 HB2 = 2.93(D), Expected = 2.74, Std = 0.2900, ChiSquare = 5.1236e-01
D24 HB3 = 3.012(D), Expected = 2.70, Std = 0.2900, ChiSquare = 2.8199e-01
D24 N = 120.8(D), Expected = 120.73, Std = 4.2000, ChiSquare = 9.8670e-01
L25 C = 180.78(D), Expected = 176.97, Std = 2.0900, ChiSquare = 6.8309e-02
L25 CA = 58.07(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.7351e-01
L25 CB = 42.056(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.6594e-01
L25 H = 8.266(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.4358e-01
L25 HA = 3.963(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.4751e-01
L25 HB2 = 1.367(D), Expected = 1.63, Std = 0.3400, ChiSquare = 4.3921e-01
L25 HB3 = 1.989(D), Expected = 1.57, Std = 0.3600, ChiSquare = 2.4447e-01
L25 N = 118.99(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.6256e-01
V26 C = 173.6(D), Expected = 175.69, Std = 2.0300, ChiSquare = 3.0322e-01
V26 CA = 66.664(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.6872e-01
V26 CB = 31.646(D), Expected = 32.66, Std = 1.9100, ChiSquare = 5.9549e-01
V26 H = 8.709(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.5510e-01
V26 HA = 3.51(D), Expected = 4.16, Std = 0.5700, ChiSquare = 2.5414e-01
V26 HB = 2.128(D), Expected = 1.99, Std = 0.3300, ChiSquare = 6.7581e-01
V26 N = 119.24(D), Expected = 121.02, Std = 4.9600, ChiSquare = 7.1969e-01
K27 C = 181.22(D), Expected = 176.46, Std = 2.0500, ChiSquare = 2.0236e-02
K27 CA = 59.953(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.6649e-01
K27 CB = 31.849(D), Expected = 32.83, Std = 1.8800, ChiSquare = 6.0180e-01
K27 H = 8.062(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.0500e-01
K27 HA = 4.237(D), Expected = 4.28, Std = 0.4500, ChiSquare = 9.2387e-01
K27 HB2 = 2.054(D), Expected = 1.79, Std = 0.2500, ChiSquare = 2.9097e-01
K27 HB3 = 2.143(D), Expected = 1.78, Std = 0.2600, ChiSquare = 1.6267e-01
K27 N = 122.84(D), Expected = 121.16, Std = 4.1100, ChiSquare = 6.8272e-01
K28 C = 177.61(D), Expected = 176.46, Std = 2.0500, ChiSquare = 5.7481e-01
K28 CA = 59.659(D), Expected = 56.84, Std = 2.2500, ChiSquare = 2.1025e-01
K28 CB = 32.912(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.6521e-01
K28 H = 8.321(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.7460e-01
K28 HA = 4.025(D), Expected = 4.28, Std = 0.4500, ChiSquare = 5.7094e-01
K28 HB2 = 1.855(D), Expected = 1.79, Std = 0.2500, ChiSquare = 7.9486e-01
K28 HB3 = 1.937(D), Expected = 1.78, Std = 0.2600, ChiSquare = 5.4595e-01
K28 N = 121.93(D), Expected = 121.16, Std = 4.1100, ChiSquare = 8.5139e-01
A29 C = 176.09(D), Expected = 177.80, Std = 2.1800, ChiSquare = 4.3280e-01
A29 CA = 51.652(D), Expected = 53.16, Std = 2.0600, ChiSquare = 4.6415e-01
A29 CB = 19.39(D), Expected = 18.90, Std = 1.8500, ChiSquare = 7.9111e-01
A29 H = 7.499(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.4267e-01
A29 HA = 4.444(D), Expected = 4.26, Std = 0.4200, ChiSquare = 6.6132e-01
A29 HB = 1.462(D), Expected = 1.38, Std = 0.2500, ChiSquare = 7.4291e-01
A29 N = 119.73(D), Expected = 123.23, Std = 3.7000, ChiSquare = 3.4418e-01
N30 C = 176.26(D), Expected = 175.16, Std = 1.7600, ChiSquare = 5.3197e-01
N30 CA = 54.419(D), Expected = 53.43, Std = 1.9400, ChiSquare = 6.1020e-01
N30 CB = 37.051(D), Expected = 38.66, Std = 1.7800, ChiSquare = 3.6603e-01
N30 H = 8.13(D), Expected = 8.37, Std = 0.6500, ChiSquare = 7.1196e-01
N30 HA = 4.859(D), Expected = 4.70, Std = 0.3900, ChiSquare = 6.8350e-01
N30 HB2 = 2.911(D), Expected = 2.80, Std = 0.3400, ChiSquare = 7.4407e-01
N30 HB3 = 3.292(D), Expected = 2.78, Std = 0.3400, ChiSquare = 1.3210e-01
N30 N = 115.55(D), Expected = 119.13, Std = 4.4200, ChiSquare = 4.1797e-01
L31 C = 178.23(D), Expected = 176.97, Std = 2.0900, ChiSquare = 5.4659e-01
L31 CA = 54.242(D), Expected = 55.65, Std = 2.2100, ChiSquare = 5.2406e-01
L31 CB = 43.95(D), Expected = 42.37, Std = 1.8600, ChiSquare = 3.9562e-01
L31 H = 8.276(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.3134e-01
L31 HA = 4.876(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.3682e-01
L31 HB2 = 1.615(D), Expected = 1.63, Std = 0.3400, ChiSquare = 9.6481e-01
L31 HB3 = 2.156(D), Expected = 1.57, Std = 0.3600, ChiSquare = 1.0357e-01
L31 N = 117.81(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.0557e-01
E32 C = 177.65(D), Expected = 176.93, Std = 2.1100, ChiSquare = 7.3293e-01
E32 CA = 60.128(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.1626e-01
E32 CB = 29.528(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.6833e-01
E32 H = 9.247(D), Expected = 8.34, Std = 0.6100, ChiSquare = 1.3704e-01
E32 HA = 4.014(D), Expected = 4.26, Std = 0.4300, ChiSquare = 5.6726e-01
E32 HB2 = 2.15(D), Expected = 2.04, Std = 0.2200, ChiSquare = 6.1707e-01
E32 HB3 = 2.15(D), Expected = 2.04, Std = 0.2300, ChiSquare = 6.3246e-01
E32 N = 122.62(D), Expected = 120.68, Std = 3.6800, ChiSquare = 5.9807e-01
K33 C = 176.76(D), Expected = 176.46, Std = 2.0500, ChiSquare = 8.8365e-01
K33 CA = 57.094(D), Expected = 56.84, Std = 2.2500, ChiSquare = 9.1012e-01
K33 CB = 31.697(D), Expected = 32.83, Std = 1.8800, ChiSquare = 5.4674e-01
K33 H = 8.501(D), Expected = 8.22, Std = 0.6400, ChiSquare = 6.6062e-01
K33 HA = 4.327(D), Expected = 4.28, Std = 0.4500, ChiSquare = 9.1682e-01
K33 HB2 = 1.792(D), Expected = 1.79, Std = 0.2500, ChiSquare = 9.9362e-01
K33 HB3 = 1.931(D), Expected = 1.78, Std = 0.2600, ChiSquare = 5.6140e-01
K33 N = 115.86(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.9721e-01
E34 C = 175.62(D), Expected = 176.93, Std = 2.1100, ChiSquare = 5.3470e-01
E34 CA = 56.244(D), Expected = 57.42, Std = 2.1900, ChiSquare = 5.9128e-01
E34 CB = 30.871(D), Expected = 30.07, Std = 1.8400, ChiSquare = 6.6333e-01
E34 H = 7.839(D), Expected = 8.34, Std = 0.6100, ChiSquare = 4.1147e-01
E34 HA = 4.333(D), Expected = 4.26, Std = 0.4300, ChiSquare = 8.6519e-01
E34 HB2 = 1.684(D), Expected = 2.04, Std = 0.2200, ChiSquare = 1.0562e-01
E34 HB3 = 1.747(D), Expected = 2.04, Std = 0.2300, ChiSquare = 2.0269e-01
E34 N = 116.76(D), Expected = 120.68, Std = 3.6800, ChiSquare = 2.8678e-01
F35 C = 173.33(D), Expected = 175.49, Std = 2.1300, ChiSquare = 3.1054e-01
F35 CA = 56.766(D), Expected = 58.25, Std = 2.7300, ChiSquare = 5.8672e-01
F35 CB = 43.781(D), Expected = 39.95, Std = 2.0400, ChiSquare = 6.0389e-02
F35 H = 7.268(D), Expected = 8.42, Std = 0.7400, ChiSquare = 1.1953e-01
F35 HA = 5.58(D), Expected = 4.62, Std = 0.5800, ChiSquare = 9.7890e-02
F35 HB2 = 2.702(D), Expected = 2.99, Std = 0.3700, ChiSquare = 4.3635e-01
F35 HB3 = 2.814(D), Expected = 2.97, Std = 0.3800, ChiSquare = 6.8142e-01
F35 N = 116.84(D), Expected = 120.69, Std = 4.1800, ChiSquare = 3.5702e-01
F36 C = 173.82(D), Expected = 175.49, Std = 2.1300, ChiSquare = 4.3302e-01
F36 CA = 56.892(D), Expected = 58.25, Std = 2.7300, ChiSquare = 6.1888e-01
F36 CB = 41.761(D), Expected = 39.95, Std = 2.0400, ChiSquare = 3.7468e-01
F36 H = 8.883(D), Expected = 8.42, Std = 0.7400, ChiSquare = 5.3153e-01
F36 HA = 5.01(D), Expected = 4.62, Std = 0.5800, ChiSquare = 5.0132e-01
F36 HB2 = 2.916(D), Expected = 2.99, Std = 0.3700, ChiSquare = 8.4148e-01
F36 HB3 = 3.236(D), Expected = 2.97, Std = 0.3800, ChiSquare = 4.8393e-01
F36 N = 124.01(D), Expected = 120.69, Std = 4.1800, ChiSquare = 4.2705e-01
I37 C = 172.89(D), Expected = 175.82, Std = 1.9500, ChiSquare = 1.3295e-01
I37 CA = 59.273(D), Expected = 61.59, Std = 2.7800, ChiSquare = 4.0459e-01
I37 CB = 39.28(D), Expected = 38.58, Std = 2.0900, ChiSquare = 7.3768e-01
I37 H = 8.814(D), Expected = 8.26, Std = 0.7100, ChiSquare = 4.3523e-01
I37 HA = 4.758(D), Expected = 4.20, Std = 0.5600, ChiSquare = 3.1904e-01
I37 HB = 1.652(D), Expected = 1.80, Std = 0.3100, ChiSquare = 6.3306e-01
I37 N = 128.9(D), Expected = 121.60, Std = 4.7200, ChiSquare = 1.2196e-01
N38 C = 172.63(D), Expected = 175.16, Std = 1.7600, ChiSquare = 1.5058e-01
N38 CA = 51.063(D), Expected = 53.43, Std = 1.9400, ChiSquare = 2.2243e-01
N38 CB = 42.332(D), Expected = 38.66, Std = 1.7800, ChiSquare = 3.9120e-02
N38 H = 8.562(D), Expected = 8.37, Std = 0.6500, ChiSquare = 7.6770e-01
N38 HA = 4.741(D), Expected = 4.70, Std = 0.3900, ChiSquare = 9.1627e-01
N38 HB2 = 2.777(D), Expected = 2.80, Std = 0.3400, ChiSquare = 9.4607e-01
N38 HB3 = 2.777(D), Expected = 2.78, Std = 0.3400, ChiSquare = 9.9296e-01
N38 N = 124.58(D), Expected = 119.13, Std = 4.4200, ChiSquare = 2.1756e-01
S39 C = 171.45(D), Expected = 174.53, Std = 1.7300, ChiSquare = 7.5019e-02
S39 CA = 58.54(D), Expected = 58.57, Std = 2.1200, ChiSquare = 9.8871e-01
S39 CB = 65.957(D), Expected = 63.80, Std = 1.5700, ChiSquare = 1.6948e-01
S39 H = 8.725(D), Expected = 8.29, Std = 0.6200, ChiSquare = 4.8292e-01
S39 HA = 5.756(D), Expected = 4.51, Std = 0.4300, ChiSquare = 3.7594e-03
S39 HB2 = 3.795(D), Expected = 3.88, Std = 0.2900, ChiSquare = 7.6944e-01
S39 HB3 = 4.008(D), Expected = 3.87, Std = 0.3100, ChiSquare = 6.5620e-01
S39 N = 115.98(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.3543e-01
A40 C = 174.85(D), Expected = 177.80, Std = 2.1800, ChiSquare = 1.7599e-01
A40 CA = 51.593(D), Expected = 53.16, Std = 2.0600, ChiSquare = 4.4685e-01
A40 CB = 22.71(D), Expected = 18.90, Std = 1.8500, ChiSquare = 3.9450e-02
A40 H = 8.773(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.3958e-01
A40 HA = 4.601(D), Expected = 4.26, Std = 0.4200, ChiSquare = 4.1685e-01
A40 HB = 1.165(D), Expected = 1.38, Std = 0.2500, ChiSquare = 3.8979e-01
A40 N = 118.41(D), Expected = 123.23, Std = 3.7000, ChiSquare = 1.9268e-01
G41 C = 174.7(D), Expected = 174.04, Std = 1.9400, ChiSquare = 7.3370e-01
G41 CA = 43.097(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.1583e-01
G41 H = 8.76(D), Expected = 8.34, Std = 0.7400, ChiSquare = 5.7033e-01
G41 HA2 = 3.627(D), Expected = 3.95, Std = 0.4000, ChiSquare = 4.1938e-01
G41 HA3 = 5.345(S), Expected = 3.93, Std = 0.4000, ChiSquare = 4.0393e-04
G41 N = 105.64(D), Expected = 109.91, Std = 4.2900, ChiSquare = 3.1957e-01
T42 C = 177.17(D), Expected = 174.60, Std = 1.8000, ChiSquare = 1.5336e-01
T42 CA = 64.563(D), Expected = 62.15, Std = 2.7200, ChiSquare = 3.7501e-01
T42 CB = 68.254(D), Expected = 69.64, Std = 1.7000, ChiSquare = 4.1490e-01
T42 H = 8.975(D), Expected = 8.27, Std = 0.6200, ChiSquare = 2.5550e-01
T42 HA = 4.376(D), Expected = 4.48, Std = 0.5000, ChiSquare = 8.3523e-01
T42 HB = 4.445(D), Expected = 4.17, Std = 0.3700, ChiSquare = 4.5733e-01
T42 N = 112.52(D), Expected = 115.70, Std = 5.0500, ChiSquare = 5.2889e-01
S43 CA = 58.999(D), Expected = 58.57, Std = 2.1200, ChiSquare = 8.3964e-01
S43 CB = 64.309(D), Expected = 63.80, Std = 1.5700, ChiSquare = 7.4578e-01
S43 H = 8.917(D), Expected = 8.29, Std = 0.6200, ChiSquare = 3.1188e-01
S43 HA = 4.545(D), Expected = 4.51, Std = 0.4300, ChiSquare = 9.3513e-01
S43 HB2 = 3.905(D), Expected = 3.88, Std = 0.2900, ChiSquare = 9.3130e-01
S43 HB3 = 3.95(D), Expected = 3.87, Std = 0.3100, ChiSquare = 7.9636e-01
S43 N = 118.41(D), Expected = 116.30, Std = 3.9500, ChiSquare = 5.9322e-01
G44 C = 175.81(D), Expected = 174.04, Std = 1.9400, ChiSquare = 3.6157e-01
G44 CA = 45.512(D), Expected = 45.33, Std = 1.4200, ChiSquare = 8.9802e-01
G44 HA2 = 3.93(D), Expected = 3.95, Std = 0.4000, ChiSquare = 9.6012e-01
G44 HA3 = 4.327(D), Expected = 3.93, Std = 0.4000, ChiSquare = 3.2095e-01
E45 C = 176.2(D), Expected = 176.93, Std = 2.1100, ChiSquare = 7.2936e-01
E45 CA = 58.363(D), Expected = 57.42, Std = 2.1900, ChiSquare = 6.6676e-01
E45 CB = 30.08(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.9566e-01
E45 H = 8.233(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.6076e-01
E45 HA = 3.885(D), Expected = 4.26, Std = 0.4300, ChiSquare = 3.8316e-01
E45 HB2 = 1.584(D), Expected = 2.04, Std = 0.2200, ChiSquare = 3.8198e-02
E45 HB3 = 1.686(D), Expected = 2.04, Std = 0.2300, ChiSquare = 1.2377e-01
E45 N = 119.56(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.6086e-01
H46 Typing: Suspicious
H46 C = 173.73(D), Expected = 175.19, Std = 2.1400, ChiSquare = 4.9509e-01
H46 CA = 53.46(D), Expected = 56.37, Std = 2.4000, ChiSquare = 2.2532e-01
H46 CB = 29.221(D), Expected = 29.95, Std = 2.1500, ChiSquare = 7.3456e-01
H46 CD2 = 138.03(S), Expected = 119.84, Std = 3.3000, ChiSquare = 3.5453e-08
H46 H = 8.082(D), Expected = 8.25, Std = 0.7400, ChiSquare = 8.2040e-01
H46 HA = 4.756(D), Expected = 4.62, Std = 0.5100, ChiSquare = 7.8973e-01
H46 HB2 = 2.998(D), Expected = 3.12, Std = 0.4300, ChiSquare = 7.7662e-01
H46 HB3 = 3.443(D), Expected = 3.11, Std = 0.4500, ChiSquare = 4.5930e-01
H46 N = 114.65(D), Expected = 119.44, Std = 4.5200, ChiSquare = 2.8927e-01
D47 C = 177.92(D), Expected = 176.41, Std = 1.7700, ChiSquare = 3.9360e-01
D47 CA = 56.656(D), Expected = 54.52, Std = 2.1000, ChiSquare = 3.0909e-01
D47 CB = 40.407(D), Expected = 40.70, Std = 1.6700, ChiSquare = 8.6073e-01
D47 H = 6.961(D), Expected = 8.33, Std = 0.5700, ChiSquare = 1.6317e-02
D47 HA = 3.969(D), Expected = 4.61, Std = 0.3100, ChiSquare = 3.8664e-02
D47 HB2 = 2.552(D), Expected = 2.74, Std = 0.2900, ChiSquare = 5.1681e-01
D47 HB3 = 2.589(D), Expected = 2.70, Std = 0.2900, ChiSquare = 7.0190e-01
D47 N = 121.34(D), Expected = 120.73, Std = 4.2000, ChiSquare = 8.8452e-01
G48 C = 174.66(D), Expected = 174.04, Std = 1.9400, ChiSquare = 7.4928e-01
G48 CA = 45.24(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.4946e-01
G48 H = 8.539(D), Expected = 8.34, Std = 0.7400, ChiSquare = 7.8799e-01
G48 HA2 = 3.549(D), Expected = 3.95, Std = 0.4000, ChiSquare = 3.1610e-01
G48 HA3 = 4.411(D), Expected = 3.93, Std = 0.4000, ChiSquare = 2.2917e-01
G48 N = 111.86(D), Expected = 109.91, Std = 4.2900, ChiSquare = 6.4944e-01
E49 C = 176.61(D), Expected = 176.93, Std = 2.1100, ChiSquare = 8.7946e-01
E49 CA = 56.057(D), Expected = 57.42, Std = 2.1900, ChiSquare = 5.3370e-01
E49 CB = 31.93(D), Expected = 30.07, Std = 1.8400, ChiSquare = 3.1208e-01
E49 H = 8.253(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.8659e-01
E49 HA = 4.453(D), Expected = 4.26, Std = 0.4300, ChiSquare = 6.5355e-01
E49 HB2 = 2.363(D), Expected = 2.04, Std = 0.2200, ChiSquare = 1.4205e-01
E49 HB3 = 2.542(D), Expected = 2.04, Std = 0.2300, ChiSquare = 2.9065e-02
E49 N = 121.04(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.2207e-01
G50 C = 173.07(D), Expected = 174.04, Std = 1.9400, ChiSquare = 6.1707e-01
G50 CA = 44.293(D), Expected = 45.33, Std = 1.4200, ChiSquare = 4.6522e-01
G50 H = 8.278(D), Expected = 8.34, Std = 0.7400, ChiSquare = 9.3323e-01
G50 HA2 = 3.963(D), Expected = 3.95, Std = 0.4000, ChiSquare = 9.7407e-01
G50 HA3 = 4.701(D), Expected = 3.93, Std = 0.4000, ChiSquare = 5.3917e-02
G50 N = 105.2(D), Expected = 109.91, Std = 4.2900, ChiSquare = 2.7225e-01
M51 C = 175.32(D), Expected = 176.30, Std = 2.1300, ChiSquare = 6.4545e-01
M51 CA = 55.891(D), Expected = 56.16, Std = 2.3400, ChiSquare = 9.0848e-01
M51 CB = 34.461(D), Expected = 32.90, Std = 2.2300, ChiSquare = 4.8393e-01
M51 H = 8.345(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.8734e-01
M51 HA = 4.331(D), Expected = 4.39, Std = 0.4600, ChiSquare = 8.9794e-01
M51 HB2 = 1.795(D), Expected = 2.03, Std = 0.3800, ChiSquare = 5.3630e-01
M51 HB3 = 1.918(D), Expected = 2.01, Std = 0.3600, ChiSquare = 7.9829e-01
M51 N = 114.84(D), Expected = 120.10, Std = 3.8800, ChiSquare = 1.7520e-01
H52 C = 177.2(D), Expected = 175.19, Std = 2.1400, ChiSquare = 3.4760e-01
H52 CA = 57.86(D), Expected = 56.37, Std = 2.4000, ChiSquare = 5.3471e-01
H52 CB = 34.388(D), Expected = 29.95, Std = 2.1500, ChiSquare = 3.9000e-02
H52 H = 8.688(D), Expected = 8.25, Std = 0.7400, ChiSquare = 5.5392e-01
H52 HA = 4.277(D), Expected = 4.62, Std = 0.5100, ChiSquare = 5.0123e-01
H52 HB2 = 2.81(D), Expected = 3.12, Std = 0.4300, ChiSquare = 4.7095e-01
H52 HB3 = 2.988(D), Expected = 3.11, Std = 0.4500, ChiSquare = 7.8631e-01
H52 N = 122.45(D), Expected = 119.44, Std = 4.5200, ChiSquare = 5.0546e-01
Y53 CA = 60.921(D), Expected = 58.02, Std = 2.6400, ChiSquare = 2.7183e-01
Y53 CB = 37.522(D), Expected = 39.16, Std = 2.2300, ChiSquare = 4.6263e-01
Y53 H = 8.082(D), Expected = 8.37, Std = 0.7500, ChiSquare = 7.0098e-01
Y53 HA = 3.963(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.3363e-01
Y53 HB2 = 2.738(D), Expected = 2.91, Std = 0.3700, ChiSquare = 6.4203e-01
Y53 HB3 = 2.99(D), Expected = 2.91, Std = 0.3700, ChiSquare = 8.2882e-01
Y53 N = 128.43(D), Expected = 120.79, Std = 4.6900, ChiSquare = 1.0331e-01
G54 C = 177.4(D), Expected = 174.04, Std = 1.9400, ChiSquare = 8.3281e-02
G54 CA = 44.764(D), Expected = 45.33, Std = 1.4200, ChiSquare = 6.9019e-01
G54 H = 11.306(S), Expected = 8.34, Std = 0.7400, ChiSquare = 6.1207e-05
G54 HA2 = 1.572(S), Expected = 3.95, Std = 0.4000, ChiSquare = 2.7646e-09
G54 HA3 = 2.99(D), Expected = 3.93, Std = 0.4000, ChiSquare = 1.8773e-02
T55 C = 174.75(D), Expected = 174.60, Std = 1.8000, ChiSquare = 9.3359e-01
T55 CA = 66.499(D), Expected = 62.15, Std = 2.7200, ChiSquare = 1.0984e-01
T55 CB = 68.959(D), Expected = 69.64, Std = 1.7000, ChiSquare = 6.8872e-01
T55 H = 6.675(D), Expected = 8.27, Std = 0.6200, ChiSquare = 1.0094e-02
T55 HA = 3.683(D), Expected = 4.48, Std = 0.5000, ChiSquare = 1.1094e-01
T55 HB = 4.249(D), Expected = 4.17, Std = 0.3700, ChiSquare = 8.3093e-01
T55 N = 120.29(D), Expected = 115.70, Std = 5.0500, ChiSquare = 3.6340e-01
K56 C = 177.46(D), Expected = 176.46, Std = 2.0500, ChiSquare = 6.2569e-01
K56 CA = 60.306(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.2345e-01
K56 CB = 32.436(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.3400e-01
K56 H = 7.823(D), Expected = 8.22, Std = 0.6400, ChiSquare = 5.3505e-01
K56 HA = 3.297(D), Expected = 4.28, Std = 0.4500, ChiSquare = 2.8930e-02
K56 HB2 = 1.54(D), Expected = 1.79, Std = 0.2500, ChiSquare = 3.1731e-01
K56 HB3 = 1.658(D), Expected = 1.78, Std = 0.2600, ChiSquare = 6.3890e-01
K56 N = 122.74(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.0066e-01
N57 C = 177.47(D), Expected = 175.16, Std = 1.7600, ChiSquare = 1.8935e-01
N57 CA = 55.714(D), Expected = 53.43, Std = 1.9400, ChiSquare = 2.3907e-01
N57 CB = 37.986(D), Expected = 38.66, Std = 1.7800, ChiSquare = 7.0495e-01
N57 H = 8.598(D), Expected = 8.37, Std = 0.6500, ChiSquare = 7.2576e-01
N57 HA = 4.198(D), Expected = 4.70, Std = 0.3900, ChiSquare = 1.9803e-01
N57 HB2 = 2.48(D), Expected = 2.80, Std = 0.3400, ChiSquare = 3.4661e-01
N57 HB3 = 2.48(D), Expected = 2.78, Std = 0.3400, ChiSquare = 3.7759e-01
N57 N = 115.66(D), Expected = 119.13, Std = 4.4200, ChiSquare = 4.3241e-01
K58 C = 177.16(D), Expected = 176.46, Std = 2.0500, ChiSquare = 7.3275e-01
K58 CA = 57.068(D), Expected = 56.84, Std = 2.2500, ChiSquare = 9.1929e-01
K58 CB = 30.402(D), Expected = 32.83, Std = 1.8800, ChiSquare = 1.9653e-01
K58 H = 6.962(D), Expected = 8.22, Std = 0.6400, ChiSquare = 4.9342e-02
K58 HA = 4.032(D), Expected = 4.28, Std = 0.4500, ChiSquare = 5.8156e-01
K58 HB2 = 1.814(D), Expected = 1.79, Std = 0.2500, ChiSquare = 9.2352e-01
K58 HB3 = 1.814(D), Expected = 1.78, Std = 0.2600, ChiSquare = 8.9596e-01
K58 N = 120.11(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.9836e-01
L59 C = 178.96(D), Expected = 176.97, Std = 2.0900, ChiSquare = 3.4102e-01
L59 CA = 57.649(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.6572e-01
L59 CB = 40.348(D), Expected = 42.37, Std = 1.8600, ChiSquare = 2.7699e-01
L59 H = 7.714(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.3630e-01
L59 HA = 3.795(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.6399e-01
L59 HB2 = 1.148(D), Expected = 1.63, Std = 0.3400, ChiSquare = 1.5629e-01
L59 HB3 = 1.148(D), Expected = 1.57, Std = 0.3600, ChiSquare = 2.4111e-01
L59 N = 116.3(D), Expected = 121.98, Std = 4.0700, ChiSquare = 1.6284e-01
A60 C = 181.79(D), Expected = 177.80, Std = 2.1800, ChiSquare = 6.7209e-02
A60 CA = 55.051(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.5864e-01
A60 CB = 18.039(D), Expected = 18.90, Std = 1.8500, ChiSquare = 6.4164e-01
A60 H = 8.322(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.3887e-01
A60 HA = 4.204(D), Expected = 4.26, Std = 0.4200, ChiSquare = 8.9393e-01
A60 HB = 1.473(D), Expected = 1.38, Std = 0.2500, ChiSquare = 7.0989e-01
A60 N = 120.77(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.0614e-01
Q61 C = 177.27(D), Expected = 176.39, Std = 1.9600, ChiSquare = 6.5345e-01
Q61 CA = 58.481(D), Expected = 56.62, Std = 2.1900, ChiSquare = 3.9545e-01
Q61 CB = 28.396(D), Expected = 29.10, Std = 1.9700, ChiSquare = 7.2082e-01
Q61 H = 7.962(D), Expected = 8.22, Std = 0.6200, ChiSquare = 6.7732e-01
Q61 HA = 3.935(D), Expected = 4.28, Std = 0.4400, ChiSquare = 4.3299e-01
Q61 HB2 = 2.124(D), Expected = 2.05, Std = 0.2800, ChiSquare = 7.9156e-01
Q61 HB3 = 2.18(D), Expected = 2.04, Std = 0.2900, ChiSquare = 6.2927e-01
Q61 N = 120.14(D), Expected = 119.92, Std = 4.0100, ChiSquare = 9.5625e-01
L62 C = 175.91(D), Expected = 176.97, Std = 2.0900, ChiSquare = 6.1203e-01
L62 CA = 53.536(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.3879e-01
L62 CB = 41.978(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.3308e-01
L62 H = 7.066(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.5835e-02
L62 HA = 4.249(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.7993e-01
L62 HB2 = 1.473(D), Expected = 1.63, Std = 0.3400, ChiSquare = 6.4425e-01
L62 HB3 = 1.652(D), Expected = 1.57, Std = 0.3600, ChiSquare = 8.1982e-01
L62 N = 118.87(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.4479e-01
N63 C = 174.27(D), Expected = 175.16, Std = 1.7600, ChiSquare = 6.1308e-01
N63 CA = 54.256(D), Expected = 53.43, Std = 1.9400, ChiSquare = 6.7027e-01
N63 CB = 37.11(D), Expected = 38.66, Std = 1.7800, ChiSquare = 3.8387e-01
N63 H = 7.941(D), Expected = 8.37, Std = 0.6500, ChiSquare = 5.0925e-01
N63 HA = 4.26(D), Expected = 4.70, Std = 0.3900, ChiSquare = 2.5923e-01
N63 HB2 = 2.749(D), Expected = 2.80, Std = 0.3400, ChiSquare = 8.8076e-01
N63 HB3 = 3.107(D), Expected = 2.78, Std = 0.3400, ChiSquare = 3.3617e-01
N63 N = 116.69(D), Expected = 119.13, Std = 4.4200, ChiSquare = 5.8092e-01
I64 C = 175.67(D), Expected = 175.82, Std = 1.9500, ChiSquare = 9.3868e-01
I64 CA = 60.836(D), Expected = 61.59, Std = 2.7800, ChiSquare = 7.8622e-01
I64 CB = 39.06(D), Expected = 38.58, Std = 2.0900, ChiSquare = 8.1835e-01
I64 H = 8.068(D), Expected = 8.26, Std = 0.7100, ChiSquare = 7.8684e-01
I64 HA = 4.075(D), Expected = 4.20, Std = 0.5600, ChiSquare = 8.2337e-01
I64 HB = 1.579(D), Expected = 1.80, Std = 0.3100, ChiSquare = 4.7591e-01
I64 N = 120.33(D), Expected = 121.60, Std = 4.7200, ChiSquare = 7.8788e-01
E65 C = 175.94(D), Expected = 176.93, Std = 2.1100, ChiSquare = 6.3893e-01
E65 CA = 57.951(D), Expected = 57.42, Std = 2.1900, ChiSquare = 8.0842e-01
E65 CB = 30.046(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.8959e-01
E65 H = 8.872(D), Expected = 8.34, Std = 0.6100, ChiSquare = 3.8314e-01
E65 HA = 3.868(D), Expected = 4.26, Std = 0.4300, ChiSquare = 3.6196e-01
E65 HB2 = 2.034(D), Expected = 2.04, Std = 0.2200, ChiSquare = 9.7824e-01
E65 HB3 = 2.034(D), Expected = 2.04, Std = 0.2300, ChiSquare = 9.7919e-01
E65 N = 132.85(S), Expected = 120.68, Std = 3.6800, ChiSquare = 9.4279e-04
H66 CA = 55.067(D), Expected = 56.37, Std = 2.4000, ChiSquare = 5.8719e-01
H66 CB = 27.643(D), Expected = 29.95, Std = 2.1500, ChiSquare = 2.8326e-01
H66 H = 8.185(D), Expected = 8.25, Std = 0.7400, ChiSquare = 9.3001e-01
H66 HA = 3.608(D), Expected = 4.62, Std = 0.5100, ChiSquare = 4.7221e-02
H66 N = 120.97(D), Expected = 119.44, Std = 4.5200, ChiSquare = 7.3499e-01
K67 CA = 57.487(D), Expected = 56.84, Std = 2.2500, ChiSquare = 7.7369e-01
K67 CB = 33.441(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.4518e-01
K67 H = 7.45(D), Expected = 8.22, Std = 0.6400, ChiSquare = 2.2893e-01
K67 N = 119.61(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.0608e-01
N68 C = 173.47(D), Expected = 175.16, Std = 1.7600, ChiSquare = 3.3694e-01
N68 CA = 54.066(D), Expected = 53.43, Std = 1.9400, ChiSquare = 7.4304e-01
N68 CB = 37.46(D), Expected = 38.66, Std = 1.7800, ChiSquare = 5.0021e-01
F69 C = 175.17(D), Expected = 175.49, Std = 2.1300, ChiSquare = 8.8058e-01
F69 CA = 58.981(D), Expected = 58.25, Std = 2.7300, ChiSquare = 7.8888e-01
F69 CB = 41.46(D), Expected = 39.95, Std = 2.0400, ChiSquare = 4.5918e-01
F69 H = 8.151(D), Expected = 8.42, Std = 0.7400, ChiSquare = 7.1622e-01
F69 HA = 4.819(D), Expected = 4.62, Std = 0.5800, ChiSquare = 7.3152e-01
F69 HB2 = 2.921(D), Expected = 2.99, Std = 0.3700, ChiSquare = 8.5206e-01
F69 HB3 = 3.212(D), Expected = 2.97, Std = 0.3800, ChiSquare = 5.2423e-01
F69 N = 121.28(D), Expected = 120.69, Std = 4.1800, ChiSquare = 8.8775e-01
T70 C = 172.2(D), Expected = 174.60, Std = 1.8000, ChiSquare = 1.8242e-01
T70 CA = 61.2(D), Expected = 62.15, Std = 2.7200, ChiSquare = 7.2689e-01
T70 CB = 71.822(D), Expected = 69.64, Std = 1.7000, ChiSquare = 1.9931e-01
T70 H = 7.767(D), Expected = 8.27, Std = 0.6200, ChiSquare = 4.1720e-01
T70 HA = 4.154(D), Expected = 4.48, Std = 0.5000, ChiSquare = 5.1440e-01
T70 HB = 3.56(D), Expected = 4.17, Std = 0.3700, ChiSquare = 9.9220e-02
T70 N = 124.22(D), Expected = 115.70, Std = 5.0500, ChiSquare = 9.1579e-02
S71 C = 175.55(D), Expected = 174.53, Std = 1.7300, ChiSquare = 5.5546e-01
S71 CA = 57.832(D), Expected = 58.57, Std = 2.1200, ChiSquare = 7.2775e-01
S71 CB = 63.309(D), Expected = 63.80, Std = 1.5700, ChiSquare = 7.5448e-01
S71 H = 8.937(D), Expected = 8.29, Std = 0.6200, ChiSquare = 2.9669e-01
S71 HA = 4.495(D), Expected = 4.51, Std = 0.4300, ChiSquare = 9.7217e-01
S71 HB2 = 3.866(D), Expected = 3.88, Std = 0.2900, ChiSquare = 9.6150e-01
S71 HB3 = 4.036(D), Expected = 3.87, Std = 0.3100, ChiSquare = 5.9232e-01
S71 N = 122.49(D), Expected = 116.30, Std = 3.9500, ChiSquare = 1.1709e-01
K72 CA = 55.056(D), Expected = 56.84, Std = 2.2500, ChiSquare = 4.2784e-01
K72 CB = 35.598(D), Expected = 32.83, Std = 1.8800, ChiSquare = 1.4093e-01
K72 H = 9.777(D), Expected = 8.22, Std = 0.6400, ChiSquare = 1.4982e-02
K72 HA = 4.853(D), Expected = 4.28, Std = 0.4500, ChiSquare = 2.0290e-01
K72 HB2 = 1.668(D), Expected = 1.79, Std = 0.2500, ChiSquare = 6.2555e-01
K72 HB3 = 1.868(D), Expected = 1.78, Std = 0.2600, ChiSquare = 7.3502e-01
K72 N = 128.53(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.2943e-02
K73 C = 176.04(D), Expected = 176.46, Std = 2.0500, ChiSquare = 8.3767e-01
K73 CA = 54.713(D), Expected = 56.84, Std = 2.2500, ChiSquare = 3.4449e-01
K73 CB = 34.697(D), Expected = 32.83, Std = 1.8800, ChiSquare = 3.2067e-01
K73 H = 8.068(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.1227e-01
K73 HA = 4.735(D), Expected = 4.28, Std = 0.4500, ChiSquare = 3.1196e-01
K73 HB2 = 1.719(D), Expected = 1.79, Std = 0.2500, ChiSquare = 7.7641e-01
K73 HB3 = 2.055(D), Expected = 1.78, Std = 0.2600, ChiSquare = 2.9020e-01
K73 N = 122.46(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.5177e-01
L74 C = 174.46(D), Expected = 176.97, Std = 2.0900, ChiSquare = 2.2977e-01
L74 CA = 56.126(D), Expected = 55.65, Std = 2.2100, ChiSquare = 8.2947e-01
L74 CB = 42.88(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.8394e-01
L74 H = 9.319(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.0881e-02
L74 HA = 3.723(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.0401e-01
L74 HB2 = 0.813(D), Expected = 1.63, Std = 0.3400, ChiSquare = 1.6264e-02
L74 HB3 = 1.641(D), Expected = 1.57, Std = 0.3600, ChiSquare = 8.4365e-01
L74 N = 125.78(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.5048e-01
T75 CA = 58.599(D), Expected = 62.15, Std = 2.7200, ChiSquare = 1.9172e-01
T75 CB = 72.905(D), Expected = 69.64, Std = 1.7000, ChiSquare = 5.4784e-02
T75 H = 6.347(D), Expected = 8.27, Std = 0.6200, ChiSquare = 1.9247e-03
T75 HA = 4.864(D), Expected = 4.48, Std = 0.5000, ChiSquare = 4.4249e-01
T75 HB = 4.695(D), Expected = 4.17, Std = 0.3700, ChiSquare = 1.5592e-01
T75 N = 113.3(D), Expected = 115.70, Std = 5.0500, ChiSquare = 6.3461e-01
Q76 C = 177.02(D), Expected = 176.39, Std = 1.9600, ChiSquare = 7.4789e-01
Q76 CA = 58.834(D), Expected = 56.62, Std = 2.1900, ChiSquare = 3.1204e-01
Q76 CB = 28.719(D), Expected = 29.10, Std = 1.9700, ChiSquare = 8.4664e-01
Q76 HA = 3.862(D), Expected = 4.28, Std = 0.4400, ChiSquare = 3.4211e-01
Q76 HB2 = 2.196(D), Expected = 2.05, Std = 0.2800, ChiSquare = 6.0207e-01
Q76 HB3 = 2.522(D), Expected = 2.04, Std = 0.2900, ChiSquare = 9.6499e-02
K77 C = 178.22(D), Expected = 176.46, Std = 2.0500, ChiSquare = 3.9060e-01
K77 CA = 59.659(D), Expected = 56.84, Std = 2.2500, ChiSquare = 2.1025e-01
K77 CB = 32.577(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.9295e-01
K77 H = 8.177(D), Expected = 8.22, Std = 0.6400, ChiSquare = 9.4643e-01
K77 HA = 4.092(D), Expected = 4.28, Std = 0.4500, ChiSquare = 6.7611e-01
K77 HB2 = 1.652(D), Expected = 1.79, Std = 0.2500, ChiSquare = 5.8095e-01
K77 HB3 = 1.842(D), Expected = 1.78, Std = 0.2600, ChiSquare = 8.1152e-01
K77 N = 119.99(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.7590e-01
L78 C = 179.9(D), Expected = 176.97, Std = 2.0900, ChiSquare = 1.6094e-01
L78 CA = 57.49(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.0508e-01
L78 CB = 42.762(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.3308e-01
L78 H = 7.445(D), Expected = 8.22, Std = 0.6500, ChiSquare = 2.3314e-01
L78 HA = 3.98(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.6943e-01
L78 HB2 = 1.255(D), Expected = 1.63, Std = 0.3400, ChiSquare = 2.7005e-01
L78 HB3 = 1.651(D), Expected = 1.57, Std = 0.3600, ChiSquare = 8.2198e-01
L78 N = 118.36(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.7377e-01
C79 C = 176.67(D), Expected = 174.78, Std = 1.9900, ChiSquare = 3.4224e-01
C79 CA = 64.428(D), Expected = 57.43, Std = 3.4100, ChiSquare = 4.0150e-02
C79 CB = 25.723(D), Expected = 34.15, Std = 6.7700, ChiSquare = 2.1322e-01
C79 H = 7.543(D), Expected = 8.42, Std = 0.6600, ChiSquare = 1.8392e-01
C79 HA = 3.795(D), Expected = 4.73, Std = 0.5700, ChiSquare = 1.0093e-01
C79 HB2 = 2.452(D), Expected = 2.95, Std = 0.4300, ChiSquare = 2.4681e-01
C79 HB3 = 3.23(D), Expected = 2.98, Std = 0.4500, ChiSquare = 5.7851e-01
C79 N = 118.36(D), Expected = 119.95, Std = 4.7900, ChiSquare = 7.3993e-01
D80 C = 177.88(D), Expected = 176.41, Std = 1.7700, ChiSquare = 4.0625e-01
D80 CA = 57.037(D), Expected = 54.52, Std = 2.1000, ChiSquare = 2.3069e-01
D80 CB = 40.172(D), Expected = 40.70, Std = 1.6700, ChiSquare = 7.5188e-01
D80 H = 8.546(D), Expected = 8.33, Std = 0.5700, ChiSquare = 7.0473e-01
D80 HA = 4.114(D), Expected = 4.61, Std = 0.3100, ChiSquare = 1.0960e-01
D80 HB2 = 2.673(D), Expected = 2.74, Std = 0.2900, ChiSquare = 8.1729e-01
D80 HB3 = 2.796(D), Expected = 2.70, Std = 0.2900, ChiSquare = 7.4062e-01
D80 N = 119.6(D), Expected = 120.73, Std = 4.2000, ChiSquare = 7.8789e-01
E81 C = 176.41(D), Expected = 176.93, Std = 2.1100, ChiSquare = 8.0534e-01
E81 CA = 56.633(D), Expected = 57.42, Std = 2.1900, ChiSquare = 7.1932e-01
E81 CB = 30.211(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.3892e-01
E81 H = 7.799(D), Expected = 8.34, Std = 0.6100, ChiSquare = 3.7514e-01
E81 HA = 4.126(D), Expected = 4.26, Std = 0.4300, ChiSquare = 7.5532e-01
E81 HB2 = 1.971(D), Expected = 2.04, Std = 0.2200, ChiSquare = 7.5380e-01
E81 HB3 = 1.971(D), Expected = 2.04, Std = 0.2300, ChiSquare = 7.6418e-01
E81 N = 116.88(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.0179e-01
S82 C = 171.79(D), Expected = 174.53, Std = 1.7300, ChiSquare = 1.1324e-01
S82 CA = 59.129(D), Expected = 58.57, Std = 2.1200, ChiSquare = 7.9203e-01
S82 CB = 64.309(D), Expected = 63.80, Std = 1.5700, ChiSquare = 7.4578e-01
S82 H = 7.174(D), Expected = 8.29, Std = 0.6200, ChiSquare = 7.1861e-02
S82 HA = 4.467(D), Expected = 4.51, Std = 0.4300, ChiSquare = 9.2034e-01
S82 HB2 = 3.541(D), Expected = 3.88, Std = 0.2900, ChiSquare = 2.4242e-01
S82 HB3 = 3.62(D), Expected = 3.87, Std = 0.3100, ChiSquare = 4.1998e-01
S82 N = 115.46(D), Expected = 116.30, Std = 3.9500, ChiSquare = 8.3159e-01
D83 C = 174.75(D), Expected = 176.41, Std = 1.7700, ChiSquare = 3.4832e-01
D83 CA = 56.46(D), Expected = 54.52, Std = 2.1000, ChiSquare = 3.5559e-01
D83 CB = 43.822(D), Expected = 40.70, Std = 1.6700, ChiSquare = 6.1559e-02
D83 H = 8.999(D), Expected = 8.33, Std = 0.5700, ChiSquare = 2.4052e-01
D83 HA = 4.461(D), Expected = 4.61, Std = 0.3100, ChiSquare = 6.3077e-01
D83 HB2 = 2.16(D), Expected = 2.74, Std = 0.2900, ChiSquare = 4.5500e-02
D83 HB3 = 2.535(D), Expected = 2.70, Std = 0.2900, ChiSquare = 5.6938e-01
D83 N = 122.89(D), Expected = 120.73, Std = 4.2000, ChiSquare = 6.0705e-01
F84 C = 173.34(D), Expected = 175.49, Std = 2.1300, ChiSquare = 3.1279e-01
F84 CA = 56.79(D), Expected = 58.25, Std = 2.7300, ChiSquare = 5.9279e-01
F84 CB = 43.527(D), Expected = 39.95, Std = 2.0400, ChiSquare = 7.9528e-02
F84 H = 7.442(D), Expected = 8.42, Std = 0.7400, ChiSquare = 1.8629e-01
F84 HA = 5.144(D), Expected = 4.62, Std = 0.5800, ChiSquare = 3.6629e-01
F84 HB2 = 2.514(D), Expected = 2.99, Std = 0.3700, ChiSquare = 1.9827e-01
F84 HB3 = 2.9(D), Expected = 2.97, Std = 0.3800, ChiSquare = 8.5385e-01
F84 N = 111.88(D), Expected = 120.69, Std = 4.1800, ChiSquare = 3.5061e-02
L85 C = 174.1(D), Expected = 176.97, Std = 2.0900, ChiSquare = 1.6969e-01
L85 CA = 52.947(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.2130e-01
L85 CB = 42.006(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.4485e-01
L85 H = 8.715(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.4634e-01
L85 HA = 5.054(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.1836e-01
L85 HB2 = 1.221(D), Expected = 1.63, Std = 0.3400, ChiSquare = 2.2900e-01
L85 HB3 = 1.764(D), Expected = 1.57, Std = 0.3600, ChiSquare = 5.8996e-01
L85 N = 125.79(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.4921e-01
I86 C = 176.09(D), Expected = 175.82, Std = 1.9500, ChiSquare = 8.8988e-01
I86 CA = 59.109(D), Expected = 61.59, Std = 2.7800, ChiSquare = 3.7215e-01
I86 CB = 37.11(D), Expected = 38.58, Std = 2.0900, ChiSquare = 4.8184e-01
I86 H = 9.098(D), Expected = 8.26, Std = 0.7100, ChiSquare = 2.3789e-01
I86 HA = 5.368(D), Expected = 4.20, Std = 0.5600, ChiSquare = 3.7005e-02
I86 HB = 1.842(D), Expected = 1.80, Std = 0.3100, ChiSquare = 8.9223e-01
I86 N = 124.21(D), Expected = 121.60, Std = 4.7200, ChiSquare = 5.8029e-01
T87 C = 175.82(D), Expected = 174.60, Std = 1.8000, ChiSquare = 4.9791e-01
T87 CA = 61.189(D), Expected = 62.15, Std = 2.7200, ChiSquare = 7.2386e-01
T87 CB = 70.432(D), Expected = 69.64, Std = 1.7000, ChiSquare = 6.4130e-01
T87 H = 9.17(D), Expected = 8.27, Std = 0.6200, ChiSquare = 1.4661e-01
T87 HA = 5.219(D), Expected = 4.48, Std = 0.5000, ChiSquare = 1.3941e-01
T87 HB = 4.574(D), Expected = 4.17, Std = 0.3700, ChiSquare = 2.7488e-01
T87 N = 118.19(D), Expected = 115.70, Std = 5.0500, ChiSquare = 6.2196e-01
M88 C = 177.73(D), Expected = 176.30, Std = 2.1300, ChiSquare = 5.0199e-01
M88 CA = 55.714(D), Expected = 56.16, Std = 2.3400, ChiSquare = 8.4884e-01
M88 CB = 31.945(D), Expected = 32.90, Std = 2.2300, ChiSquare = 6.6847e-01
M88 H = 7.563(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.4537e-01
M88 HA = 5.058(D), Expected = 4.39, Std = 0.4600, ChiSquare = 1.4645e-01
M88 HB2 = 1.717(D), Expected = 2.03, Std = 0.3800, ChiSquare = 4.1012e-01
M88 N = 116.12(D), Expected = 120.10, Std = 3.8800, ChiSquare = 3.0500e-01
D89 C = 177.08(D), Expected = 176.41, Std = 1.7700, ChiSquare = 7.0504e-01
D89 CA = 52.535(D), Expected = 54.52, Std = 2.1000, ChiSquare = 3.4454e-01
D89 CB = 43.029(D), Expected = 40.70, Std = 1.6700, ChiSquare = 1.6313e-01
D89 H = 8.671(D), Expected = 8.33, Std = 0.5700, ChiSquare = 5.4968e-01
D89 HA = 5.155(D), Expected = 4.61, Std = 0.3100, ChiSquare = 7.8737e-02
D89 HB2 = 2.475(D), Expected = 2.74, Std = 0.2900, ChiSquare = 3.6083e-01
D89 HB3 = 3.644(D), Expected = 2.70, Std = 0.2900, ChiSquare = 1.1332e-03
D89 N = 121.86(D), Expected = 120.73, Std = 4.2000, ChiSquare = 7.8789e-01
N90 C = 178.12(D), Expected = 175.16, Std = 1.7600, ChiSquare = 9.2604e-02
N90 CA = 56.303(D), Expected = 53.43, Std = 1.9400, ChiSquare = 1.3863e-01
N90 CB = 37.866(D), Expected = 38.66, Std = 1.7800, ChiSquare = 6.5555e-01
N90 H = 9.91(D), Expected = 8.37, Std = 0.6500, ChiSquare = 1.7825e-02
N90 HA = 4.713(D), Expected = 4.70, Std = 0.3900, ChiSquare = 9.7341e-01
N90 HB2 = 2.777(D), Expected = 2.80, Std = 0.3400, ChiSquare = 9.4607e-01
N90 HB3 = 2.868(D), Expected = 2.78, Std = 0.3400, ChiSquare = 7.9577e-01
N90 N = 119.2(D), Expected = 119.13, Std = 4.4200, ChiSquare = 9.8736e-01
S91 C = 177.32(D), Expected = 174.53, Std = 1.7300, ChiSquare = 1.0681e-01
S91 CA = 61.484(D), Expected = 58.57, Std = 2.1200, ChiSquare = 1.6928e-01
S91 CB = 62.426(D), Expected = 63.80, Std = 1.5700, ChiSquare = 3.8149e-01
S91 H = 8.654(D), Expected = 8.29, Std = 0.6200, ChiSquare = 5.5714e-01
S91 HA = 4.372(D), Expected = 4.51, Std = 0.4300, ChiSquare = 7.4826e-01
S91 HB2 = 4.075(D), Expected = 3.88, Std = 0.2900, ChiSquare = 5.0132e-01
S91 HB3 = 4.075(D), Expected = 3.87, Std = 0.3100, ChiSquare = 5.0843e-01
S91 N = 120.98(D), Expected = 116.30, Std = 3.9500, ChiSquare = 2.3609e-01
N92 C = 176.21(D), Expected = 175.16, Std = 1.7600, ChiSquare = 5.5078e-01
N92 CA = 56.538(D), Expected = 53.43, Std = 1.9400, ChiSquare = 1.0914e-01
N92 CB = 41.758(D), Expected = 38.66, Std = 1.7800, ChiSquare = 8.1780e-02
N92 H = 9.142(D), Expected = 8.37, Std = 0.6500, ChiSquare = 2.3495e-01
N92 HA = 4.698(D), Expected = 4.70, Std = 0.3900, ChiSquare = 9.9591e-01
N92 HB2 = 2.647(D), Expected = 2.80, Std = 0.3400, ChiSquare = 6.5271e-01
N92 HB3 = 3.246(D), Expected = 2.78, Std = 0.3400, ChiSquare = 1.7050e-01
N92 N = 122.18(D), Expected = 119.13, Std = 4.4200, ChiSquare = 4.9017e-01
F93 C = 175.71(D), Expected = 175.49, Std = 2.1300, ChiSquare = 9.1774e-01
F93 CA = 62.602(D), Expected = 58.25, Std = 2.7300, ChiSquare = 1.1090e-01
F93 CB = 39.642(D), Expected = 39.95, Std = 2.0400, ChiSquare = 8.7999e-01
F93 H = 8.032(D), Expected = 8.42, Std = 0.7400, ChiSquare = 6.0005e-01
F93 HA = 4.042(D), Expected = 4.62, Std = 0.5800, ChiSquare = 3.1898e-01
F93 HB2 = 3.331(D), Expected = 2.99, Std = 0.3700, ChiSquare = 3.5673e-01
F93 HB3 = 3.331(D), Expected = 2.97, Std = 0.3800, ChiSquare = 3.4211e-01
F93 N = 119.83(D), Expected = 120.69, Std = 4.1800, ChiSquare = 8.3699e-01
K94 C = 179.11(D), Expected = 176.46, Std = 2.0500, ChiSquare = 1.9612e-01
K94 CA = 59.834(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.8330e-01
K94 CB = 32.224(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.4719e-01
K94 H = 8.079(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.2563e-01
K94 HA = 3.896(D), Expected = 4.28, Std = 0.4500, ChiSquare = 3.9347e-01
K94 HB2 = 1.93(D), Expected = 1.79, Std = 0.2500, ChiSquare = 5.7548e-01
K94 HB3 = 2.021(D), Expected = 1.78, Std = 0.2600, ChiSquare = 3.5397e-01
K94 N = 116.33(D), Expected = 121.16, Std = 4.1100, ChiSquare = 2.3992e-01
N95 C = 177.85(D), Expected = 175.16, Std = 1.7600, ChiSquare = 1.2641e-01
N95 CA = 56.715(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.0399e-02
N95 CB = 39.053(D), Expected = 38.66, Std = 1.7800, ChiSquare = 8.2526e-01
N95 H = 8.238(D), Expected = 8.37, Std = 0.6500, ChiSquare = 8.3907e-01
N95 HA = 4.389(D), Expected = 4.70, Std = 0.3900, ChiSquare = 4.2520e-01
N95 HB2 = 2.928(D), Expected = 2.80, Std = 0.3400, ChiSquare = 7.0657e-01
N95 HB3 = 3.031(D), Expected = 2.78, Std = 0.3400, ChiSquare = 4.6037e-01
N95 N = 118.18(D), Expected = 119.13, Std = 4.4200, ChiSquare = 8.2982e-01
V96 C = 176.85(D), Expected = 175.69, Std = 2.0300, ChiSquare = 5.6771e-01
V96 CA = 66.405(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.9666e-01
V96 CB = 31.43(D), Expected = 32.66, Std = 1.9100, ChiSquare = 5.1959e-01
V96 H = 8.302(D), Expected = 8.29, Std = 0.7100, ChiSquare = 9.8652e-01
V96 HA = 3.807(D), Expected = 4.16, Std = 0.5700, ChiSquare = 5.3572e-01
V96 HB = 2.005(D), Expected = 1.99, Std = 0.3300, ChiSquare = 9.6375e-01
V96 N = 120.44(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.0691e-01
L97 C = 178.96(D), Expected = 176.97, Std = 2.0900, ChiSquare = 3.4102e-01
L97 CA = 56.833(D), Expected = 55.65, Std = 2.2100, ChiSquare = 5.9245e-01
L97 CB = 42.644(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.8289e-01
L97 H = 7.285(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.5030e-01
L97 HA = 4.064(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.8597e-01
L97 HB2 = 1.35(D), Expected = 1.63, Std = 0.3400, ChiSquare = 4.1021e-01
L97 HB3 = 1.563(D), Expected = 1.57, Std = 0.3600, ChiSquare = 9.8449e-01
L97 N = 116.98(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.1926e-01
K98 C = 178.47(D), Expected = 176.46, Std = 2.0500, ChiSquare = 3.2685e-01
K98 CA = 57.657(D), Expected = 56.84, Std = 2.2500, ChiSquare = 7.1652e-01
K98 CB = 33.637(D), Expected = 32.83, Std = 1.8800, ChiSquare = 6.6774e-01
K98 H = 7.891(D), Expected = 8.22, Std = 0.6400, ChiSquare = 6.0721e-01
K98 HA = 4.243(D), Expected = 4.28, Std = 0.4500, ChiSquare = 9.3447e-01
K98 HB2 = 1.764(D), Expected = 1.79, Std = 0.2500, ChiSquare = 9.1717e-01
K98 HB3 = 1.882(D), Expected = 1.78, Std = 0.2600, ChiSquare = 6.9483e-01
K98 N = 116(D), Expected = 121.16, Std = 4.1100, ChiSquare = 2.0931e-01
N99 C = 173.44(D), Expected = 175.16, Std = 1.7600, ChiSquare = 3.2843e-01
N99 CA = 53.958(D), Expected = 53.43, Std = 1.9400, ChiSquare = 7.8550e-01
N99 CB = 39.661(D), Expected = 38.66, Std = 1.7800, ChiSquare = 5.7387e-01
N99 H = 7.92(D), Expected = 8.37, Std = 0.6500, ChiSquare = 4.8874e-01
N99 HA = 4.507(D), Expected = 4.70, Std = 0.3900, ChiSquare = 6.2069e-01
N99 HB2 = 2.072(D), Expected = 2.80, Std = 0.3400, ChiSquare = 3.2260e-02
N99 HB3 = 2.447(D), Expected = 2.78, Std = 0.3400, ChiSquare = 3.2738e-01
N99 N = 114.32(D), Expected = 119.13, Std = 4.4200, ChiSquare = 2.7649e-01
F100 C = 175.06(D), Expected = 175.49, Std = 2.1300, ChiSquare = 8.4001e-01
F100 CA = 56.833(D), Expected = 58.25, Std = 2.7300, ChiSquare = 6.0373e-01
F100 CB = 41.985(D), Expected = 39.95, Std = 2.0400, ChiSquare = 3.1850e-01
F100 H = 7.378(D), Expected = 8.42, Std = 0.7400, ChiSquare = 1.5910e-01
F100 HA = 4.915(D), Expected = 4.62, Std = 0.5800, ChiSquare = 6.1102e-01
F100 HB2 = 2.883(D), Expected = 2.99, Std = 0.3700, ChiSquare = 7.7244e-01
F100 HB3 = 3.101(D), Expected = 2.97, Std = 0.3800, ChiSquare = 7.3029e-01
F100 N = 118.2(D), Expected = 120.69, Std = 4.1800, ChiSquare = 5.5138e-01
T101 CA = 61.248(D), Expected = 62.15, Std = 2.7200, ChiSquare = 7.4018e-01
T101 CB = 70.197(D), Expected = 69.64, Std = 1.7000, ChiSquare = 7.4318e-01
T101 H = 9.471(D), Expected = 8.27, Std = 0.6200, ChiSquare = 5.2734e-02
T101 HA = 4.433(D), Expected = 4.48, Std = 0.5000, ChiSquare = 9.2511e-01
T101 HB = 4.226(D), Expected = 4.17, Std = 0.3700, ChiSquare = 8.7970e-01
T101 N = 116.62(D), Expected = 115.70, Std = 5.0500, ChiSquare = 8.5544e-01
N102 C = 175.7(D), Expected = 175.16, Std = 1.7600, ChiSquare = 7.5898e-01
N102 H = 9.167(D), Expected = 8.37, Std = 0.6500, ChiSquare = 2.2014e-01
N102 HA = 4.601(D), Expected = 4.70, Std = 0.3900, ChiSquare = 7.9961e-01
N102 HB2 = 2.816(D), Expected = 2.80, Std = 0.3400, ChiSquare = 9.6247e-01
N102 HB3 = 3.101(D), Expected = 2.78, Std = 0.3400, ChiSquare = 3.4511e-01
N102 N = 117.15(D), Expected = 119.13, Std = 4.4200, ChiSquare = 6.5418e-01
T103 C = 176.84(D), Expected = 174.60, Std = 1.8000, ChiSquare = 2.1334e-01
T103 CA = 61.719(D), Expected = 62.15, Std = 2.7200, ChiSquare = 8.7410e-01
T103 CB = 70.02(D), Expected = 69.64, Std = 1.7000, ChiSquare = 8.2312e-01
T103 H = 8.236(D), Expected = 8.27, Std = 0.6200, ChiSquare = 9.5627e-01
T103 HA = 4.126(D), Expected = 4.48, Std = 0.5000, ChiSquare = 4.7895e-01
T103 N = 106.28(D), Expected = 115.70, Std = 5.0500, ChiSquare = 6.2133e-02
Q104 H = 8.705(D), Expected = 8.22, Std = 0.6200, ChiSquare = 4.3406e-01
Q104 N = 123.02(D), Expected = 119.92, Std = 4.0100, ChiSquare = 4.3948e-01
N105 C = 175.22(D), Expected = 175.16, Std = 1.7600, ChiSquare = 9.7280e-01
N105 CA = 54.102(D), Expected = 53.43, Std = 1.9400, ChiSquare = 7.2905e-01
N105 CB = 38.17(D), Expected = 38.66, Std = 1.7800, ChiSquare = 7.8310e-01
N105 HA = 4.875(D), Expected = 4.70, Std = 0.3900, ChiSquare = 6.5363e-01
N105 HB2 = 2.833(D), Expected = 2.80, Std = 0.3400, ChiSquare = 9.2268e-01
N105 HB3 = 2.995(D), Expected = 2.78, Std = 0.3400, ChiSquare = 5.2716e-01
K106 C = 175.14(D), Expected = 176.46, Std = 2.0500, ChiSquare = 5.1964e-01
K106 CA = 56.538(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.9323e-01
K106 CB = 35.461(D), Expected = 32.83, Std = 1.8800, ChiSquare = 1.6167e-01
K106 H = 7.857(D), Expected = 8.22, Std = 0.6400, ChiSquare = 5.7059e-01
K106 HA = 4.669(D), Expected = 4.28, Std = 0.4500, ChiSquare = 3.8734e-01
K106 HB2 = 1.641(D), Expected = 1.79, Std = 0.2500, ChiSquare = 5.5118e-01
K106 HB3 = 1.803(D), Expected = 1.78, Std = 0.2600, ChiSquare = 9.2951e-01
K106 N = 117.31(D), Expected = 121.16, Std = 4.1100, ChiSquare = 3.4889e-01
V107 C = 175.35(D), Expected = 175.69, Std = 2.0300, ChiSquare = 8.6699e-01
V107 CA = 60.821(D), Expected = 62.48, Std = 3.0400, ChiSquare = 5.8526e-01
V107 CB = 33.048(D), Expected = 32.66, Std = 1.9100, ChiSquare = 8.3902e-01
V107 H = 7.166(D), Expected = 8.29, Std = 0.7100, ChiSquare = 1.1340e-01
V107 HA = 5.457(D), Expected = 4.16, Std = 0.5700, ChiSquare = 2.2880e-02
V107 HB = 1.882(D), Expected = 1.99, Std = 0.3300, ChiSquare = 7.4346e-01
V107 N = 118.78(D), Expected = 121.02, Std = 4.9600, ChiSquare = 6.5155e-01
L108 C = 175.14(D), Expected = 176.97, Std = 2.0900, ChiSquare = 3.8125e-01
L108 CA = 53.359(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.9990e-01
L108 CB = 46.53(D), Expected = 42.37, Std = 1.8600, ChiSquare = 2.5315e-02
L108 H = 9.162(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.4727e-01
L108 HA = 4.898(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.1878e-01
L108 HB2 = 1.583(D), Expected = 1.63, Std = 0.3400, ChiSquare = 8.9005e-01
L108 HB3 = 1.699(D), Expected = 1.57, Std = 0.3600, ChiSquare = 7.2009e-01
L108 N = 128.27(D), Expected = 121.98, Std = 4.0700, ChiSquare = 1.2224e-01
K109 C = 179.14(D), Expected = 176.46, Std = 2.0500, ChiSquare = 1.9110e-01
K109 CA = 55.832(D), Expected = 56.84, Std = 2.2500, ChiSquare = 6.5415e-01
K109 CB = 32.812(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.9236e-01
K109 H = 8.726(D), Expected = 8.22, Std = 0.6400, ChiSquare = 4.2916e-01
K109 HA = 4.6(D), Expected = 4.28, Std = 0.4500, ChiSquare = 4.7702e-01
K109 HB2 = 1.535(D), Expected = 1.79, Std = 0.2500, ChiSquare = 3.0773e-01
K109 HB3 = 1.591(D), Expected = 1.78, Std = 0.2600, ChiSquare = 4.6727e-01
K109 N = 122.14(D), Expected = 121.16, Std = 4.1100, ChiSquare = 8.1154e-01
I110 C = 176.24(D), Expected = 175.82, Std = 1.9500, ChiSquare = 8.2947e-01
I110 CA = 62.661(D), Expected = 61.59, Std = 2.7800, ChiSquare = 7.0005e-01
I110 CB = 37.346(D), Expected = 38.58, Std = 2.0900, ChiSquare = 5.5490e-01
I110 H = 8.745(D), Expected = 8.26, Std = 0.7100, ChiSquare = 4.9454e-01
I110 HA = 4.232(D), Expected = 4.20, Std = 0.5600, ChiSquare = 9.5443e-01
I110 HB = 1.904(D), Expected = 1.80, Std = 0.3100, ChiSquare = 7.3726e-01
I110 N = 125.45(D), Expected = 121.60, Std = 4.7200, ChiSquare = 4.1468e-01
T111 C = 178.25(D), Expected = 174.60, Std = 1.8000, ChiSquare = 4.2583e-02
T111 CA = 63.309(D), Expected = 62.15, Std = 2.7200, ChiSquare = 6.7003e-01
T111 CB = 67.076(D), Expected = 69.64, Std = 1.7000, ChiSquare = 1.3149e-01
T111 H = 7.709(D), Expected = 8.27, Std = 0.6200, ChiSquare = 3.6555e-01
T111 HA = 4.327(D), Expected = 4.48, Std = 0.5000, ChiSquare = 7.5960e-01
T111 HB = 4.431(D), Expected = 4.17, Std = 0.3700, ChiSquare = 4.8056e-01
T111 N = 109.41(D), Expected = 115.70, Std = 5.0500, ChiSquare = 2.1293e-01
D112 C = 176.96(D), Expected = 176.41, Std = 1.7700, ChiSquare = 7.5600e-01
D112 CA = 56.538(D), Expected = 54.52, Std = 2.1000, ChiSquare = 3.3658e-01
D112 CB = 38.464(D), Expected = 40.70, Std = 1.6700, ChiSquare = 1.8060e-01
D112 H = 7.77(D), Expected = 8.33, Std = 0.5700, ChiSquare = 3.2588e-01
D112 HA = 4.337(D), Expected = 4.61, Std = 0.3100, ChiSquare = 3.7851e-01
D112 HB2 = 2.089(D), Expected = 2.74, Std = 0.2900, ChiSquare = 2.4779e-02
D112 HB3 = 2.631(D), Expected = 2.70, Std = 0.2900, ChiSquare = 8.1193e-01
D112 N = 124.96(D), Expected = 120.73, Std = 4.2000, ChiSquare = 3.1387e-01
F113 C = 173.67(D), Expected = 175.49, Std = 2.1300, ChiSquare = 3.9285e-01
F113 CA = 58.259(D), Expected = 58.25, Std = 2.7300, ChiSquare = 9.9737e-01
F113 CB = 37.649(D), Expected = 39.95, Std = 2.0400, ChiSquare = 2.5934e-01
F113 H = 7.951(D), Expected = 8.42, Std = 0.7400, ChiSquare = 5.2622e-01
F113 HA = 4.37(D), Expected = 4.62, Std = 0.5800, ChiSquare = 6.6644e-01
F113 HB2 = 3.115(D), Expected = 2.99, Std = 0.3700, ChiSquare = 7.3549e-01
F113 HB3 = 3.634(D), Expected = 2.97, Std = 0.3800, ChiSquare = 8.0574e-02
F113 N = 116.57(D), Expected = 120.69, Std = 4.1800, ChiSquare = 3.2431e-01
S114 CA = 56.419(D), Expected = 58.57, Std = 2.1200, ChiSquare = 3.1029e-01
S114 CB = 63.065(D), Expected = 63.80, Std = 1.5700, ChiSquare = 6.3968e-01
S114 H = 7.62(D), Expected = 8.29, Std = 0.6200, ChiSquare = 2.7985e-01
S114 HB2 = 3.261(D), Expected = 3.88, Std = 0.2900, ChiSquare = 3.2803e-02
S114 HB3 = 4.248(D), Expected = 3.87, Std = 0.3100, ChiSquare = 2.2271e-01
S114 N = 113.36(D), Expected = 116.30, Std = 3.9500, ChiSquare = 4.5669e-01
S116 C = 175.03(D), Expected = 174.53, Std = 1.7300, ChiSquare = 7.7257e-01
S116 CA = 59.953(D), Expected = 58.57, Std = 2.1200, ChiSquare = 5.1417e-01
S116 CB = 62.426(D), Expected = 63.80, Std = 1.5700, ChiSquare = 3.8149e-01
S116 HA = 4.265(D), Expected = 4.51, Std = 0.4300, ChiSquare = 5.6884e-01
S116 HB2 = 3.822(D), Expected = 3.88, Std = 0.2900, ChiSquare = 8.4148e-01
S116 HB3 = 4.042(D), Expected = 3.87, Std = 0.3100, ChiSquare = 5.7900e-01
L117 CA = 54.131(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.9187e-01
L117 CB = 43.202(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.5465e-01
L117 H = 7.717(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.3902e-01
L117 N = 120.28(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.7617e-01
Y119 CA = 58.137(D), Expected = 58.02, Std = 2.6400, ChiSquare = 9.6465e-01
Y119 CB = 39.642(D), Expected = 39.16, Std = 2.2300, ChiSquare = 8.2888e-01
Y119 H = 7.821(D), Expected = 8.37, Std = 0.7500, ChiSquare = 4.6417e-01
Y119 N = 117(D), Expected = 120.79, Std = 4.6900, ChiSquare = 4.1903e-01
D120 CA = 53.948(D), Expected = 54.52, Std = 2.1000, ChiSquare = 7.8533e-01
D120 CB = 41.82(D), Expected = 40.70, Std = 1.6700, ChiSquare = 5.0244e-01
D120 H = 9.064(D), Expected = 8.33, Std = 0.5700, ChiSquare = 1.9784e-01
D120 HA = 4.677(D), Expected = 4.61, Std = 0.3100, ChiSquare = 8.2889e-01
D120 HB2 = 2.641(D), Expected = 2.74, Std = 0.2900, ChiSquare = 7.3282e-01
D120 HB3 = 2.686(D), Expected = 2.70, Std = 0.2900, ChiSquare = 9.6150e-01
D120 N = 122.39(D), Expected = 120.73, Std = 4.2000, ChiSquare = 6.9267e-01
E121 CA = 54.595(D), Expected = 57.42, Std = 2.1900, ChiSquare = 1.9707e-01
E121 CB = 33.894(D), Expected = 30.07, Std = 1.8400, ChiSquare = 3.7685e-02
E121 H = 7.693(D), Expected = 8.34, Std = 0.6100, ChiSquare = 2.8885e-01
E121 HA = 4.444(D), Expected = 4.26, Std = 0.4300, ChiSquare = 6.6872e-01
E121 HB2 = 1.859(D), Expected = 2.04, Std = 0.2200, ChiSquare = 4.1066e-01
E121 HB3 = 2.262(D), Expected = 2.04, Std = 0.2300, ChiSquare = 3.3444e-01
E121 N = 113.34(D), Expected = 120.68, Std = 3.6800, ChiSquare = 4.6090e-02
V122 CA = 60.068(D), Expected = 62.48, Std = 3.0400, ChiSquare = 4.2753e-01
V122 CB = 32.715(D), Expected = 32.66, Std = 1.9100, ChiSquare = 9.7703e-01
V122 H = 8.056(D), Expected = 8.29, Std = 0.7100, ChiSquare = 7.4172e-01
V122 HA = 4.103(D), Expected = 4.16, Std = 0.5700, ChiSquare = 9.2034e-01
V122 N = 122.06(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.3392e-01
D124 CA = 56.225(D), Expected = 54.52, Std = 2.1000, ChiSquare = 4.1685e-01
D124 CB = 41.673(D), Expected = 40.70, Std = 1.6700, ChiSquare = 5.6014e-01
D124 H = 9.094(D), Expected = 8.33, Std = 0.5700, ChiSquare = 1.8013e-01
D124 HA = 4.741(D), Expected = 4.61, Std = 0.3100, ChiSquare = 6.7260e-01
D124 HB2 = 3.428(D), Expected = 2.74, Std = 0.2900, ChiSquare = 1.7672e-02
D124 HB3 = 2.764(D), Expected = 2.70, Std = 0.2900, ChiSquare = 8.2533e-01
D124 N = 124.13(D), Expected = 120.73, Std = 4.2000, ChiSquare = 4.1821e-01
P125 C = 177.31(D), Expected = 176.70, Std = 1.6900, ChiSquare = 7.1814e-01
P125 CA = 63.199(D), Expected = 63.30, Std = 1.6400, ChiSquare = 9.5089e-01
P125 CB = 29.127(D), Expected = 31.81, Std = 1.5400, ChiSquare = 8.1472e-02
P125 HA = 4.958(D), Expected = 4.41, Std = 0.3600, ChiSquare = 1.2795e-01
P125 HB2 = 0.01(S), Expected = 2.05, Std = 0.3900, ChiSquare = 1.6881e-07
W126 C = 176.61(D), Expected = 176.10, Std = 1.8900, ChiSquare = 7.8728e-01
W126 CA = 61.359(D), Expected = 57.71, Std = 2.6500, ChiSquare = 1.6852e-01
W126 CB = 29.751(D), Expected = 30.16, Std = 2.1900, ChiSquare = 8.5185e-01
W126 H = 8.075(D), Expected = 8.35, Std = 0.8400, ChiSquare = 7.4338e-01
W126 HA = 3.683(D), Expected = 4.74, Std = 0.5500, ChiSquare = 5.4629e-02
W126 HB2 = 2.816(D), Expected = 3.22, Std = 0.3600, ChiSquare = 2.6177e-01
W126 HB3 = 3.202(D), Expected = 3.18, Std = 0.3600, ChiSquare = 9.5127e-01
W126 HD1 = 5.848(S), Expected = 7.16, Std = 0.3400, ChiSquare = 1.1393e-04
W126 HE1 = 10.277(D), Expected = 10.13, Std = 0.5300, ChiSquare = 7.8150e-01
W126 N = 124.86(D), Expected = 121.87, Std = 4.5800, ChiSquare = 5.1386e-01
W126 NE1 = 130.2(D), Expected = 129.48, Std = 2.5600, ChiSquare = 7.7852e-01
Y127 C = 177.61(D), Expected = 175.39, Std = 1.8900, ChiSquare = 2.4015e-01
Y127 CA = 59.659(D), Expected = 58.02, Std = 2.6400, ChiSquare = 5.3471e-01
Y127 CB = 39.524(D), Expected = 39.16, Std = 2.2300, ChiSquare = 8.7034e-01
Y127 H = 7.117(D), Expected = 8.37, Std = 0.7500, ChiSquare = 9.4788e-02
Y127 HA = 4.366(D), Expected = 4.63, Std = 0.5600, ChiSquare = 6.3733e-01
Y127 N = 111.8(D), Expected = 120.79, Std = 4.6900, ChiSquare = 5.5258e-02
S128 C = 176.13(D), Expected = 174.53, Std = 1.7300, ChiSquare = 3.5504e-01
S128 CA = 59.541(D), Expected = 58.57, Std = 2.1200, ChiSquare = 6.4694e-01
S128 CB = 63.897(D), Expected = 63.80, Std = 1.5700, ChiSquare = 9.5074e-01
S128 H = 8.024(D), Expected = 8.29, Std = 0.6200, ChiSquare = 6.6790e-01
S128 HA = 4.352(D), Expected = 4.51, Std = 0.4300, ChiSquare = 7.1329e-01
S128 HB2 = 3.901(D), Expected = 3.88, Std = 0.2900, ChiSquare = 9.4227e-01
S128 HB3 = 4.09(D), Expected = 3.87, Std = 0.3100, ChiSquare = 4.7790e-01
S128 N = 114.73(D), Expected = 116.30, Std = 3.9500, ChiSquare = 6.9102e-01
G129 C = 173.11(D), Expected = 174.04, Std = 1.9400, ChiSquare = 6.3167e-01
G129 CA = 45.614(D), Expected = 45.33, Std = 1.4200, ChiSquare = 8.4148e-01
G129 H = 8.369(D), Expected = 8.34, Std = 0.7400, ChiSquare = 9.6874e-01
G129 HA2 = 3.807(D), Expected = 3.95, Std = 0.4000, ChiSquare = 7.2072e-01
G129 HA3 = 4.159(D), Expected = 3.93, Std = 0.4000, ChiSquare = 5.6698e-01
G129 N = 111.36(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.3537e-01
N130 C = 175.88(D), Expected = 175.16, Std = 1.7600, ChiSquare = 6.8247e-01
N130 CA = 51.16(D), Expected = 53.43, Std = 1.9400, ChiSquare = 2.4196e-01
N130 CB = 37.287(D), Expected = 38.66, Std = 1.7800, ChiSquare = 4.4050e-01
N130 H = 7.757(D), Expected = 8.37, Std = 0.6500, ChiSquare = 3.4564e-01
N130 HA = 5.144(D), Expected = 4.70, Std = 0.3900, ChiSquare = 2.5493e-01
N130 HB2 = 2.592(D), Expected = 2.80, Std = 0.3400, ChiSquare = 5.4069e-01
N130 HB3 = 2.978(D), Expected = 2.78, Std = 0.3400, ChiSquare = 5.6033e-01
N130 N = 118.08(D), Expected = 119.13, Std = 4.4200, ChiSquare = 8.1222e-01
F131 C = 177.65(D), Expected = 175.49, Std = 2.1300, ChiSquare = 3.1054e-01
F131 CA = 60.204(D), Expected = 58.25, Std = 2.7300, ChiSquare = 4.7415e-01
F131 CB = 39.06(D), Expected = 39.95, Std = 2.0400, ChiSquare = 6.6264e-01
F131 H = 8.798(D), Expected = 8.42, Std = 0.7400, ChiSquare = 6.0948e-01
F131 N = 124.76(D), Expected = 120.69, Std = 4.1800, ChiSquare = 3.3021e-01
D132 C = 179.07(D), Expected = 176.41, Std = 1.7700, ChiSquare = 1.3288e-01
D132 CA = 57.951(D), Expected = 54.52, Std = 2.1000, ChiSquare = 1.0230e-01
D132 CB = 39.821(D), Expected = 40.70, Std = 1.6700, ChiSquare = 5.9865e-01
D132 H = 8.315(D), Expected = 8.33, Std = 0.5700, ChiSquare = 9.7901e-01
D132 HA = 4.405(D), Expected = 4.61, Std = 0.3100, ChiSquare = 5.0843e-01
D132 HB2 = 2.758(D), Expected = 2.74, Std = 0.2900, ChiSquare = 9.5051e-01
D132 HB3 = 2.95(D), Expected = 2.70, Std = 0.2900, ChiSquare = 3.8865e-01
D132 N = 123.49(D), Expected = 120.73, Std = 4.2000, ChiSquare = 5.1109e-01
E133 C = 176.46(D), Expected = 176.93, Std = 2.1100, ChiSquare = 8.2373e-01
E133 CA = 58.551(D), Expected = 57.42, Std = 2.1900, ChiSquare = 6.0555e-01
E133 CB = 30.606(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.7082e-01
E133 H = 7.693(D), Expected = 8.34, Std = 0.6100, ChiSquare = 2.8885e-01
E133 HA = 3.946(D), Expected = 4.26, Std = 0.4300, ChiSquare = 4.6525e-01
E133 HB2 = 1.809(D), Expected = 2.04, Std = 0.2200, ChiSquare = 2.9372e-01
E133 HB3 = 1.96(D), Expected = 2.04, Std = 0.2300, ChiSquare = 7.2797e-01
E133 N = 124.29(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.2660e-01
T134 C = 176.09(D), Expected = 174.60, Std = 1.8000, ChiSquare = 4.0780e-01
T134 CA = 66.685(D), Expected = 62.15, Std = 2.7200, ChiSquare = 9.5459e-02
T134 CB = 68.195(D), Expected = 69.64, Std = 1.7000, ChiSquare = 3.9533e-01
T134 H = 7.093(D), Expected = 8.27, Std = 0.6200, ChiSquare = 5.7645e-02
T134 HA = 3.527(D), Expected = 4.48, Std = 0.5000, ChiSquare = 5.6650e-02
T134 HB = 3.863(D), Expected = 4.17, Std = 0.3700, ChiSquare = 4.0669e-01
T134 N = 114.07(D), Expected = 115.70, Std = 5.0500, ChiSquare = 7.4687e-01
Y135 C = 177.27(D), Expected = 175.39, Std = 1.8900, ChiSquare = 3.1988e-01
Y135 CA = 62.602(D), Expected = 58.02, Std = 2.6400, ChiSquare = 8.2634e-02
Y135 CB = 38.7(D), Expected = 39.16, Std = 2.2300, ChiSquare = 8.3657e-01
Y135 H = 7.807(D), Expected = 8.37, Std = 0.7500, ChiSquare = 4.5285e-01
Y135 HA = 3.874(D), Expected = 4.63, Std = 0.5600, ChiSquare = 1.7702e-01
Y135 HB2 = 3.023(D), Expected = 2.91, Std = 0.3700, ChiSquare = 7.6006e-01
Y135 HB3 = 3.023(D), Expected = 2.91, Std = 0.3700, ChiSquare = 7.6006e-01
Y135 N = 119.36(D), Expected = 120.79, Std = 4.6900, ChiSquare = 7.6044e-01
K136 C = 177.74(D), Expected = 176.46, Std = 2.0500, ChiSquare = 5.3237e-01
K136 CA = 60.012(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.5861e-01
K136 CB = 31.93(D), Expected = 32.83, Std = 1.8800, ChiSquare = 6.3214e-01
K136 H = 8.418(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.5704e-01
K136 HA = 3.672(D), Expected = 4.28, Std = 0.4500, ChiSquare = 1.7666e-01
K136 HB2 = 2.001(D), Expected = 1.79, Std = 0.2500, ChiSquare = 3.9867e-01
K136 HB3 = 2.05(D), Expected = 1.78, Std = 0.2600, ChiSquare = 2.9906e-01
K136 N = 124.2(D), Expected = 121.16, Std = 4.1100, ChiSquare = 4.5951e-01
I137 C = 177.26(D), Expected = 175.82, Std = 1.9500, ChiSquare = 4.6023e-01
I137 CA = 64.41(D), Expected = 61.59, Std = 2.7800, ChiSquare = 3.1040e-01
I137 CB = 39.599(D), Expected = 38.58, Std = 2.0900, ChiSquare = 6.2586e-01
I137 H = 7.386(D), Expected = 8.26, Std = 0.7100, ChiSquare = 2.1833e-01
I137 HA = 3.538(D), Expected = 4.20, Std = 0.5600, ChiSquare = 2.3715e-01
I137 HB = 1.372(D), Expected = 1.80, Std = 0.3100, ChiSquare = 1.6739e-01
I137 N = 115.29(D), Expected = 121.60, Std = 4.7200, ChiSquare = 1.8127e-01
L138 C = 179.16(D), Expected = 176.97, Std = 2.0900, ChiSquare = 2.9471e-01
L138 CA = 57.384(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.3268e-01
L138 CB = 42.762(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.3308e-01
L138 H = 8.184(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.5583e-01
L138 HA = 3.823(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.9031e-01
L138 HB2 = 0.902(D), Expected = 1.63, Std = 0.3400, ChiSquare = 3.2260e-02
L138 HB3 = 1.541(D), Expected = 1.57, Std = 0.3600, ChiSquare = 9.3580e-01
L138 N = 115.35(D), Expected = 121.98, Std = 4.0700, ChiSquare = 1.0331e-01
S139 C = 176.02(D), Expected = 174.53, Std = 1.7300, ChiSquare = 3.8909e-01
S139 CA = 60.057(D), Expected = 58.57, Std = 2.1200, ChiSquare = 4.8304e-01
S139 CB = 61.008(D), Expected = 63.80, Std = 1.5700, ChiSquare = 7.5348e-02
S139 H = 8.759(D), Expected = 8.29, Std = 0.6200, ChiSquare = 4.4938e-01
S139 HA = 3.644(D), Expected = 4.51, Std = 0.4300, ChiSquare = 4.4014e-02
S139 HB2 = 2.99(D), Expected = 3.88, Std = 0.2900, ChiSquare = 2.1480e-03
S139 HB3 = 3.448(D), Expected = 3.87, Std = 0.3100, ChiSquare = 1.7342e-01
S139 N = 115.42(D), Expected = 116.30, Std = 3.9500, ChiSquare = 8.2370e-01
L140 C = 177.95(D), Expected = 176.97, Std = 2.0900, ChiSquare = 6.3914e-01
L140 CA = 57.528(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.9545e-01
L140 CB = 42.585(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.0798e-01
L140 H = 6.448(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.4077e-03
L140 HA = 4.193(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.8700e-01
L140 HB2 = 1.706(D), Expected = 1.63, Std = 0.3400, ChiSquare = 8.2312e-01
L140 HB3 = 1.795(D), Expected = 1.57, Std = 0.3600, ChiSquare = 5.3197e-01
L140 N = 124.4(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.5211e-01
A141 C = 180.73(D), Expected = 177.80, Std = 2.1800, ChiSquare = 1.7894e-01
A141 CA = 54.949(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.8515e-01
A141 CB = 19.39(D), Expected = 18.90, Std = 1.8500, ChiSquare = 7.9111e-01
A141 H = 8.712(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.9347e-01
A141 HA = 4.187(D), Expected = 4.26, Std = 0.4200, ChiSquare = 8.6202e-01
A141 HB = 1.383(D), Expected = 1.38, Std = 0.2500, ChiSquare = 9.9043e-01
A141 N = 120.42(D), Expected = 123.23, Std = 3.7000, ChiSquare = 4.4758e-01
C142 C = 175.91(D), Expected = 174.78, Std = 1.9900, ChiSquare = 5.7014e-01
C142 CA = 65.134(D), Expected = 57.43, Std = 3.4100, ChiSquare = 2.3869e-02
C142 CB = 27.545(D), Expected = 34.15, Std = 6.7700, ChiSquare = 3.2925e-01
C142 H = 8.783(D), Expected = 8.42, Std = 0.6600, ChiSquare = 5.8232e-01
C142 HA = 3.941(D), Expected = 4.73, Std = 0.5700, ChiSquare = 1.6629e-01
C142 HB2 = 2.793(D), Expected = 2.95, Std = 0.4300, ChiSquare = 7.1502e-01
C142 HB3 = 2.841(D), Expected = 2.98, Std = 0.4500, ChiSquare = 7.5741e-01
C142 N = 113.07(D), Expected = 119.95, Std = 4.7900, ChiSquare = 1.5091e-01
K143 C = 178.78(D), Expected = 176.46, Std = 2.0500, ChiSquare = 2.5776e-01
K143 CA = 60.247(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.2997e-01
K143 CB = 31.811(D), Expected = 32.83, Std = 1.8800, ChiSquare = 5.8780e-01
K143 H = 7.003(D), Expected = 8.22, Std = 0.6400, ChiSquare = 5.7228e-02
K143 HA = 3.878(D), Expected = 4.28, Std = 0.4500, ChiSquare = 3.7168e-01
K143 HB2 = 1.931(D), Expected = 1.79, Std = 0.2500, ChiSquare = 5.7275e-01
K143 HB3 = 2.034(D), Expected = 1.78, Std = 0.2600, ChiSquare = 3.2861e-01
K143 N = 120.66(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.0317e-01
N144 C = 179.13(D), Expected = 175.16, Std = 1.7600, ChiSquare = 2.4091e-02
N144 CA = 55.337(D), Expected = 53.43, Std = 1.9400, ChiSquare = 3.2561e-01
N144 CB = 37.64(D), Expected = 38.66, Std = 1.7800, ChiSquare = 5.6662e-01
N144 H = 7.921(D), Expected = 8.37, Std = 0.6500, ChiSquare = 4.8971e-01
N144 HA = 4.669(D), Expected = 4.70, Std = 0.3900, ChiSquare = 9.3665e-01
N144 HB2 = 3.101(D), Expected = 2.80, Std = 0.3400, ChiSquare = 3.7600e-01
N144 HB3 = 3.627(D), Expected = 2.78, Std = 0.3400, ChiSquare = 1.2732e-02
N144 N = 119.06(D), Expected = 119.13, Std = 4.4200, ChiSquare = 9.8736e-01
L145 C = 177.51(D), Expected = 176.97, Std = 2.0900, ChiSquare = 7.9612e-01
L145 CA = 57.548(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.9044e-01
L145 CB = 41.526(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.5000e-01
L145 H = 9.153(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.5118e-01
L145 HA = 3.542(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.7860e-02
L145 HB2 = 0.908(D), Expected = 1.63, Std = 0.3400, ChiSquare = 3.3710e-02
L145 HB3 = 1.725(D), Expected = 1.57, Std = 0.3600, ChiSquare = 6.6679e-01
L145 N = 126.79(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.3728e-01
L146 C = 179.01(D), Expected = 176.97, Std = 2.0900, ChiSquare = 3.2903e-01
L146 CA = 58.256(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.3832e-01
L146 CB = 40.643(D), Expected = 42.37, Std = 1.8600, ChiSquare = 3.5315e-01
L146 H = 8.057(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.0199e-01
L146 HA = 3.711(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.9506e-01
L146 HB2 = 1.304(D), Expected = 1.63, Std = 0.3400, ChiSquare = 3.3765e-01
L146 HB3 = 2.061(D), Expected = 1.57, Std = 0.3600, ChiSquare = 1.7260e-01
L146 N = 120.57(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.2901e-01
V147 C = 178.25(D), Expected = 175.69, Std = 2.0300, ChiSquare = 2.0728e-01
V147 CA = 66.636(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.7159e-01
V147 CB = 31.599(D), Expected = 32.66, Std = 1.9100, ChiSquare = 5.7855e-01
V147 H = 7.486(D), Expected = 8.29, Std = 0.7100, ChiSquare = 2.5747e-01
V147 HA = 3.549(D), Expected = 4.16, Std = 0.5700, ChiSquare = 2.8375e-01
V147 HB = 2.301(D), Expected = 1.99, Std = 0.3300, ChiSquare = 3.4598e-01
V147 N = 120.75(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.5659e-01
F148 C = 177.83(D), Expected = 175.49, Std = 2.1300, ChiSquare = 2.7195e-01
F148 CA = 61.374(D), Expected = 58.25, Std = 2.7300, ChiSquare = 2.5249e-01
F148 CB = 39.465(D), Expected = 39.95, Std = 2.0400, ChiSquare = 8.1208e-01
F148 H = 7.736(D), Expected = 8.42, Std = 0.7400, ChiSquare = 3.5532e-01
F148 HA = 4.366(D), Expected = 4.62, Std = 0.5800, ChiSquare = 6.6144e-01
F148 HB2 = 3.23(D), Expected = 2.99, Std = 0.3700, ChiSquare = 5.1657e-01
F148 HB3 = 3.504(D), Expected = 2.97, Std = 0.3800, ChiSquare = 1.5994e-01
F148 N = 121.34(D), Expected = 120.69, Std = 4.1800, ChiSquare = 8.7643e-01
L149 C = 178.55(D), Expected = 176.97, Std = 2.0900, ChiSquare = 4.4966e-01
L149 CA = 56.48(D), Expected = 55.65, Std = 2.2100, ChiSquare = 7.0724e-01
L149 CB = 42.35(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.9142e-01
L149 H = 8.686(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.7342e-01
L149 HA = 3.773(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.4449e-01
L149 HB2 = 1.283(D), Expected = 1.63, Std = 0.3400, ChiSquare = 3.0745e-01
L149 HB3 = 1.654(D), Expected = 1.57, Std = 0.3600, ChiSquare = 8.1550e-01
L149 N = 118.21(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.5430e-01
S150 C = 174.77(D), Expected = 174.53, Std = 1.7300, ChiSquare = 8.8967e-01
S150 CA = 60.306(D), Expected = 58.57, Std = 2.1200, ChiSquare = 4.1286e-01
S150 CB = 64.036(D), Expected = 63.80, Std = 1.5700, ChiSquare = 8.8051e-01
S150 H = 8.097(D), Expected = 8.29, Std = 0.6200, ChiSquare = 7.5558e-01
S150 HA = 4.463(D), Expected = 4.51, Std = 0.4300, ChiSquare = 9.1296e-01
S150 HB2 = 3.878(D), Expected = 3.88, Std = 0.2900, ChiSquare = 9.9450e-01
S150 HB3 = 4.081(D), Expected = 3.87, Std = 0.3100, ChiSquare = 4.9610e-01
S150 N = 113.9(D), Expected = 116.30, Std = 3.9500, ChiSquare = 5.4346e-01
K151 CA = 57.192(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.7568e-01
K151 CB = 32.695(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.4275e-01
K151 H = 7.488(D), Expected = 8.22, Std = 0.6400, ChiSquare = 2.5273e-01
K151 HA = 4.226(D), Expected = 4.28, Std = 0.4500, ChiSquare = 9.0448e-01
K151 HB2 = 1.722(D), Expected = 1.79, Std = 0.2500, ChiSquare = 7.8562e-01
K151 HB3 = 1.692(D), Expected = 1.78, Std = 0.2600, ChiSquare = 7.3502e-01
K151 N = 121.5(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.3407e-01