Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.763 CA :: 45.491 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.991 HA3 :: 3.991 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 174.228 CA :: 45.174 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.276 HA2 :: 3.966 HA3 :: 3.966 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.736 Ave N Shift Values>> N :: 109.91(4.29) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.16 M 0.03 HN Overlap>> 1.R96 1.R96 C Shift Assignments>> C :: 176.817 CA :: 56.398 CB :: 33.003 CG :: 24.780 CD :: 29.221 CE :: 42.049 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 :: 8.220 HA :: 4.314 HB2 :: 1.828 HB3 :: 1.746 HG2 :: 1.429 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 :: 120.969 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.11 G 0.07 HN Overlap>> 1.M14 1.M14 C Shift Assignments>> C :: 176.358 CA :: 56.032 CB :: 30.865 CG :: 27.088 CD :: 43.339 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.436 HA :: 4.369 HB2 :: 1.835 HB3 :: 1.758 HG2 :: 1.621 HG3 :: 1.621 HD2 :: 3.198 HD3 :: 3.198 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.487 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.34 C 0.33 H 0.32 C Shift Assignments>> CA :: 56.382 CB :: 31.268 CE1 :: 138.514 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>> HA :: 4.669 HB2 :: 3.144 HB3 :: 3.070 HD2 :: 7.017 HE1 :: 7.782 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) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.219 CA :: 58.263 CB :: 63.841 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.414 HB2 :: 3.809 HB3 :: 3.809 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) 1.M14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.37 A 0.16 HN Overlap>> 1.R10 1.R10 C Shift Assignments>> C :: 175.436 CA :: 55.413 CB :: 33.086 CG :: 32.238 CE :: 17.168 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 :: 8.381 HA :: 4.515 HB2 :: 1.975 HB3 :: 2.105 HG2 :: 2.575 HG3 :: 2.575 HE1 :: 2.092 HE2 :: 2.092 HE3 :: 2.092 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 :: 122.487 Ave N Shift Values>> N :: 120.1(3.88) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.37 R 0.15 M 0.02 C Shift Assignments>> C :: 175.431 CA :: 55.378 CB :: 34.072 CG :: 24.780 CD :: 29.138 CE :: 42.049 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 :: 8.301 HA :: 4.380 HB2 :: 1.748 HB3 :: 1.670 HG2 :: 1.417 HG3 :: 1.348 HD2 :: 1.654 HD3 :: 1.654 HE2 :: 2.975 HE3 :: 2.975 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 :: 122.059 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.45 C 0.34 G 0.13 K 0.05 L 0.01 HN Overlap>> 1.W43 1.W43 C Shift Assignments>> C :: 175.493 CA :: 55.026 CB :: 30.592 CG :: 26.655 CD :: 43.720 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.077 HA :: 3.990 HB2 :: 1.214 HB3 :: 0.158(S) HG2 :: 0.983 HG3 :: 0.823 HD2 :: 2.300(S) HD3 :: 2.575 HE :: 7.029 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 :: 123.841 NE :: 83.388 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.19 D 0.12 Y 0.03 F 0.02 L 0.01 C Shift Assignments>> C :: 175.486 CA :: 50.558 CB :: 38.513 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 :: 9.113 HA :: 4.814 HB2 :: 2.986 HB3 :: 2.941 HD21 :: 7.170 HD22 :: 7.988 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 128.955 ND2 :: 112.963 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 176.564 CA :: 64.280 CB :: 32.263 CG :: 26.836 CD :: 51.213 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 :: 4.249 HB2 :: 1.940 HB3 :: 2.272 HG2 :: 2.030 HG3 :: 1.923 HD2 :: 4.055 HD3 :: 3.938 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) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.23 C 0.14 Y 0.07 F 0.06 L 0.05 HN Overlap>> 1.N81 1.N81 C Shift Assignments>> C :: 174.758 CA :: 53.021 CB :: 39.248 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 :: 8.056 HA :: 4.706 HB2 :: 2.608 HB3 :: 2.894 HD21 :: 7.006 HD22 :: 7.660 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 :: 114.394 ND2 :: 113.898 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.08 C 0.02 C Shift Assignments>> C :: 175.123 CA :: 50.031 CB :: 19.000 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.161 HA :: 4.614 HB1 :: 1.385 HB2 :: 1.385 HB3 :: 1.385 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.825 Ave N Shift Values>> N :: 123.23(3.7) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.200 CA :: 62.310 CB :: 32.099 CG :: 27.289 CD :: 50.572 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 :: 4.403 HB2 :: 1.840 HB3 :: 2.226 HG2 :: 2.045 HG3 :: 2.045 HD2 :: 3.838 HD3 :: 3.723 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) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 177.364 CA :: 62.747 CB :: 33.068 CG1 :: 21.688 CG2 :: 22.184 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 :: 8.575 HA :: 3.920 HB :: 1.946 HG11 :: 0.905 HG12 :: 0.905 HG13 :: 0.905 HG21 :: 0.815 HG22 :: 0.815 HG23 :: 0.815 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 :: 122.889 Ave N Shift Values>> N :: 121.02(4.96) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 173.982 CA :: 65.652 CB :: 69.004 CG2 :: 22.165 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 :: 9.077 HA :: 4.044 HB :: 3.819 HG21 :: 1.188 HG22 :: 1.188 HG23 :: 1.188 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 126.154 Ave N Shift Values>> N :: 115.7(5.05) 1.K24 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.65 K 0.31 R 0.01 C Shift Assignments>> C :: 171.387 CA :: 56.434 CB :: 35.117 CG :: 24.944 CD :: 28.398 CE :: 40.058 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 :: 7.264 HA :: 4.047 HB2 :: 0.674(S) HB3 :: 1.209 HG2 :: 0.701 HG3 :: -0.205(S) HD2 :: -0.513(A) HD3 :: 0.697(S) HE2 :: 1.543(S) HE3 :: 1.015(A) 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 :: 120.214 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE3 > HB3 : 0.9974) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.24 A 0.19 M 0.07 K 0.05 P 0.03 C Shift Assignments>> C :: 176.700 CA :: 50.241 CB :: 23.253 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.112 HA :: 5.515 HB1 :: 1.210 HB2 :: 1.210 HB3 :: 1.210 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.492 Ave N Shift Values>> N :: 123.23(3.7) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 171.137 CA :: 45.753 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.490 HA2 :: 3.408 HA3 :: 4.339 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.892 Ave N Shift Values>> N :: 109.91(4.29) 1.W27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 W 0.4 H 0.08 C Shift Assignments>> C :: 177.778 CA :: 57.208 CB :: 31.194 CD1 :: 128.788 CE3 :: 120.698 CZ2 :: 115.312 CZ3 :: 121.849 CH2 :: 124.398 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 :: 8.780 HA :: 5.459 HB2 :: 2.987 HB3 :: 3.338 HD1 :: 7.775 HE1 :: 10.519 HE3 :: 7.595 HZ2 :: 7.705 HZ3 :: 7.126 HH2 :: 7.432 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 :: 119.848 NE1 :: 130.908 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L28 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.54 G 0.17 A 0.14 L 0.13 C Shift Assignments>> C :: 176.172 CA :: 54.639 CB :: 47.544 CG :: 26.342 CD1 :: 22.697 CD2 :: 23.669 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 :: 9.282 HA :: 4.748 HB2 :: 0.840 HB3 :: 1.259 HG :: 0.734 HD11 :: -1.305(A) HD12 :: -1.305(A) HD13 :: -1.305(A) HD21 :: 0.357 HD22 :: 0.357 HD23 :: 0.357 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 :: 120.809 Ave N Shift Values>> N :: 121.98(4.07) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.4 C Shift Assignments>> C :: 175.551 CA :: 57.560 CB :: 40.699 CD1 :: 131.818 CD2 :: 131.818 CE1 :: 131.928 CE2 :: 131.928 CZ :: 130.328 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 :: 9.085 HA :: 5.417 HB2 :: 2.900 HB3 :: 3.280 HD1 :: 7.128 HD2 :: 7.128 HE1 :: 7.400 HE2 :: 7.400 HZ :: 7.368 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 :: 118.170 Ave N Shift Values>> N :: 120.69(4.18) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.31 M 0.04 A 0.04 R 0.03 C Shift Assignments>> C :: 175.830 CA :: 54.076 CB :: 35.857 CG :: 23.440 CD :: 29.303 CE :: 41.283 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 :: 9.441 HA :: 5.241 HB2 :: 1.782 HB3 :: 1.746 HG2 :: 1.148 HG3 :: 1.386 HD2 :: 1.158 HD3 :: 1.428 HE2 :: 2.668 HE3 :: 2.860 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 :: 122.869 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.25 Q 0.25 K 0.23 E 0.15 R 0.04 M 0.04 I 0.01 C Shift Assignments>> C :: 176.015 CA :: 56.482 CB :: 28.867 CG :: 34.319 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 :: 8.019 HA :: 3.565 HB2 :: 1.494 HB3 :: 0.116(S) HG2 :: 1.725 HG3 :: 0.830(S) HE21 :: 6.293 HE22 :: 6.528 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 :: 130.486 NE2 :: 109.945 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.23 C 0.03 L 0.02 C Shift Assignments>> C :: 177.788 CA :: 53.021 CB :: 19.928 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.644 HA :: 4.335 HB1 :: 1.451 HB2 :: 1.451 HB3 :: 1.451 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.578 Ave N Shift Values>> N :: 123.23(3.7) 1.S33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S34 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.476 CA :: 45.526 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.769 HA3 :: 4.073 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 176.345 CA :: 62.310 CB :: 32.099 CG1 :: 21.183 CG2 :: 20.168 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 :: 7.950 HA :: 4.029 HB :: 2.112 HG11 :: 0.902 HG12 :: 0.902 HG13 :: 0.902 HG21 :: 0.910 HG22 :: 0.910 HG23 :: 0.910 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 :: 119.220 Ave N Shift Values>> N :: 121.02(4.96) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 C 0.33 R 0.28 M 0.02 G 0.01 C Shift Assignments>> C :: 175.599 CA :: 56.821 CB :: 30.536 CG :: 24.927 CD :: 29.221 CE :: 42.214 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 :: 8.396 HA :: 4.032 HB2 :: 1.755 HB3 :: 1.720 HG2 :: 1.236 HG3 :: 1.355 HD2 :: 1.588 HD3 :: 1.588 HE2 :: 2.930 HE3 :: 2.930 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.288 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 M 0.23 K 0.15 E 0.08 R 0.02 C Shift Assignments>> C :: 174.216 CA :: 55.343 CB :: 30.674 CG :: 33.509 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 :: 7.801 HA :: 4.497 HB2 :: 1.974 HB3 :: 1.974 HG2 :: 2.266 HG3 :: 2.266 HE21 :: 7.620 HE22 :: 6.896 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 :: 120.446 NE2 :: 112.561 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.43 H 0.04 C Shift Assignments>> C :: 175.453 CA :: 56.082 CB :: 30.717 CD1 :: 127.845 CE3 :: 119.493 CZ2 :: 114.381 CZ3 :: 121.829 CH2 :: 123.620 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 :: 8.812 HA :: 4.898 HB2 :: 2.997 HB3 :: 2.997 HD1 :: 7.225 HE1 :: 10.127 HE3 :: 7.027 HZ2 :: 7.240 HZ3 :: 6.558 HH2 :: 6.735 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 :: 123.131 NE1 :: 130.480 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.18 N 0.16 C 0.11 K 0.07 F 0.04 Y 0.03 R 0.03 C Shift Assignments>> C :: 173.825 CA :: 52.191 CB :: 41.477 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 :: 8.907 HA :: 5.333 HB2 :: 2.515 HB3 :: 2.805 HD21 :: 7.918 HD22 :: 7.184 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.350 ND2 :: 114.183 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 K 0.41 R 0.14 M 0.02 C Shift Assignments>> C :: 176.357 CA :: 57.208 CB :: 32.597 CG :: 25.764 CD :: 29.303 CE :: 41.147 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 :: 9.311 HA :: 4.202 HB2 :: 1.646 HB3 :: 1.017 HG2 :: 1.183 HG3 :: 0.290(S) HD2 :: 1.179 HD3 :: 1.067 HE2 :: 1.910(S) HE3 :: 2.126(S) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 128.138 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 G 0.26 R 0.14 K 0.08 C Shift Assignments>> C :: 172.415 CA :: 53.408 CB :: 34.271 CG :: 26.518 CD :: 43.720 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.452 HA :: 5.076 HB2 :: 1.884 HB3 :: 1.982 HG2 :: 1.640 HG3 :: 1.542 HD2 :: 2.948 HD3 :: 3.755 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 127.731 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.W43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.55 C 0.41 H 0.03 HN Overlap>> 1.R16 1.R16 C Shift Assignments>> C :: 174.412 CA :: 56.011 CB :: 29.767 CD1 :: 127.177 CE3 :: 119.329 CZ2 :: 114.607 CZ3 :: 121.318 CH2 :: 123.405 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 :: 8.096 HA :: 4.408 HB2 :: 1.622(S) HB3 :: 2.445 HD1 :: 6.389 HE1 :: 10.549 HE3 :: 5.157 HZ2 :: 7.159 HZ3 :: 6.597 HH2 :: 6.970 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 :: 123.944 NE1 :: 130.154 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 C 0.35 G 0.08 HN Overlap>> 1.I62 1.I62 C Shift Assignments>> C :: 174.469 CA :: 57.137 CB :: 42.963 CD1 :: 132.159 CD2 :: 132.159 CE1 :: 130.981 CE2 :: 130.981 CZ :: 127.432 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 :: 8.734 HA :: 4.948 HB2 :: 2.261 HB3 :: 2.720 HD1 :: 6.961 HD2 :: 6.961 HE1 :: 6.764 HE2 :: 6.764 HZ :: 6.392 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 :: 127.499 Ave N Shift Values>> N :: 120.69(4.18) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.46 HN Overlap>> 1.Y54 1.Y54 C Shift Assignments>> C :: 174.318 CA :: 61.711 CB :: 36.114 CG1 :: 22.660 CG2 :: 22.002 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.190 HA :: 4.536 HB :: 2.132 HG11 :: 0.970 HG12 :: 0.970 HG13 :: 0.970 HG21 :: 0.901 HG22 :: 0.901 HG23 :: 0.901 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.665 Ave N Shift Values>> N :: 121.02(4.96) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.29 C 0.25 L 0.24 R 0.17 A 0.02 C Shift Assignments>> C :: 174.469 CA :: 53.830 CB :: 44.187 CG :: 27.770 CD1 :: 23.698 CD2 :: 27.167 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 :: 9.328 HA :: 5.331 HB2 :: 2.051 HB3 :: 1.387 HG :: 1.528 HD11 :: 0.670 HD12 :: 0.670 HD13 :: 0.670 HD21 :: 0.723 HD22 :: 0.723 HD23 :: 0.723 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.880 Ave N Shift Values>> N :: 121.98(4.07) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.55 C 0.43 C Shift Assignments>> CA :: 60.955 CB :: 35.037 CG1 :: 22.066 CG2 :: 21.258 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.055 HA :: 4.561 HB :: 2.206 HG11 :: 1.012 HG12 :: 1.012 HG13 :: 1.012 HG21 :: 1.047 HG22 :: 1.047 HG23 :: 1.047 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) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.18 F 0.18 D 0.18 C 0.17 L 0.1 N 0.09 K 0.03 I 0.02 C Shift Assignments>> CA :: 55.984 CB :: 39.829 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 :: 9.705 HA :: 4.268 HB2 :: 3.167 HB3 :: 2.616 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 :: 129.225 Ave N Shift Values>> N :: 120.73(4.2) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.63 G 0.27 K 0.09 C Shift Assignments>> CB :: 31.395 CG :: 28.058 CD :: 43.988 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.707 HA :: 4.165 HG2 :: 1.635 HG3 :: 1.635 HD2 :: 3.265 HD3 :: 3.265 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) 1.C50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 R 0.13 H 0.13 Q 0.12 C 0.12 K 0.09 M 0.05 I 0.03 V 0.01 C Shift Assignments>> C :: 171.254 CA :: 57.524 CB :: 29.980 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.233 HA :: 4.711 HB2 :: 2.611 HB3 :: 2.611 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 :: 120.327 Ave N Shift Values>> N :: 119.95(4.79) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 G 0.36 C 0.15 R 0.01 C Shift Assignments>> C :: 175.107 CA :: 52.944 CB :: 44.434 CG :: 26.589 CD1 :: 25.361 CD2 :: 25.100 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 :: 8.127 HA :: 5.014 HB2 :: 1.423 HB3 :: 1.671 HG :: 1.548 HD11 :: 0.643 HD12 :: 0.643 HD13 :: 0.643 HD21 :: 0.772 HD22 :: 0.772 HD23 :: 0.772 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 :: 126.889 Ave N Shift Values>> N :: 121.98(4.07) 1.F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.34 G 0.03 C Shift Assignments>> C :: 174.535 CA :: 57.489 CB :: 42.460 CD1 :: 132.124 CD2 :: 132.124 CE1 :: 131.016 CE2 :: 131.016 CZ :: 130.188 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 :: 9.480 HA :: 4.818 HB2 :: 2.727 HB3 :: 3.011 HD1 :: 7.165 HD2 :: 7.165 HE1 :: 7.291 HE2 :: 7.291 HZ :: 7.131 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 :: 124.912 Ave N Shift Values>> N :: 120.69(4.18) 1.Y53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 173.515 CA :: 54.815 CB :: 39.467 CD1 :: 133.554 CD2 :: 133.554 CE1 :: 117.197 CE2 :: 117.197 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 :: 7.641 HA :: 5.757 HB2 :: 1.459(S) HB3 :: 1.677(S) HD1 :: 6.273 HD2 :: 6.273 HE1 :: 6.523 HE2 :: 6.523 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 114.407 Ave N Shift Values>> N :: 120.79(4.69) 1.Y54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 C 0.35 Y 0.15 HN Overlap>> 1.V45 1.V45 C Shift Assignments>> C :: 175.542 CA :: 56.821 CB :: 44.237 CE1 :: 118.075 CE2 :: 118.075 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.178 HA :: 4.871 HB2 :: 3.062 HB3 :: 3.499 HD1 :: 7.024 HD2 :: 7.024 HE1 :: 6.487 HE2 :: 6.487 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 :: 117.625 Ave N Shift Values>> N :: 120.79(4.69) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.37 R 0.21 G 0.01 M 0.01 C Shift Assignments>> C :: 176.196 CA :: 59.847 CB :: 33.620 CG :: 25.438 CD :: 29.529 CE :: 42.214 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 :: 9.638 HA :: 4.176 HB2 :: 2.043 HB3 :: 1.935 HG2 :: 1.638 HG3 :: 1.549 HD2 :: 1.849 HD3 :: 1.781 HE2 :: 3.100 HE3 :: 3.100 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 :: 121.720 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.19 N 0.13 C 0.1 K 0.1 F 0.05 Y 0.04 R 0.03 C Shift Assignments>> C :: 174.025 CA :: 53.197 CB :: 41.349 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 :: 7.752 HA :: 4.695 HB2 :: 3.214 HB3 :: 3.214 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 :: 110.453 Ave N Shift Values>> N :: 120.73(4.2) 1.E57 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.42 Q 0.16 E 0.15 K 0.14 I 0.05 R 0.03 M 0.01 C Shift Assignments>> C :: 176.953 CA :: 56.785 CB :: 26.954 CG :: 35.259 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 :: 8.717 HA :: 1.734(A) HB2 :: 0.713(S) HB3 :: 0.571(S) HG2 :: 1.067(S) HG3 :: 1.406(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 :: 115.189 Ave N Shift Values>> N :: 120.68(3.68) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 C 0.33 R 0.29 M 0.01 C Shift Assignments>> C :: 177.051 CA :: 57.454 CB :: 31.112 CG :: 25.520 CD :: 28.727 CE :: 42.131 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 :: 8.241 HA :: 3.834 HB2 :: 1.665 HB3 :: 1.879 HG2 :: 1.322 HG3 :: 1.235 HD2 :: 1.565 HD3 :: 1.565 HE2 :: 2.888 HE3 :: 2.888 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 :: 120.816 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E59 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.54 K 0.15 E 0.11 I 0.1 Q 0.04 M 0.01 R 0.01 C Shift Assignments>> C :: 176.024 CA :: 56.785 CB :: 26.096 CG :: 36.122 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 :: 7.715 HA :: 2.991 HB2 :: 1.501 HB3 :: 1.098(S) HG2 :: 0.841(A) HG3 :: 1.626 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 :: 113.320 Ave N Shift Values>> N :: 120.68(3.68) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.32 I 0.23 M 0.03 K 0.01 C Shift Assignments>> C :: 177.702 CA :: 59.418 CB :: 30.691 CG :: 37.362 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 :: 8.826 HA :: 3.986 HB2 :: 2.025 HB3 :: 1.959 HG2 :: 2.207 HG3 :: 2.148 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 :: 118.101 Ave N Shift Values>> N :: 120.68(3.68) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.539 CA :: 57.067 CB :: 64.478 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.500 HA :: 4.710 HB2 :: 3.764 HB3 :: 3.714 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 109.964 Ave N Shift Values>> N :: 116.3(3.95) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 HN Overlap>> 1.F44 1.F44 C Shift Assignments>> C :: 176.384 CA :: 62.789 CB :: 38.961 CG1 :: 29.714 CG2 :: 18.186 CD1 :: 14.550 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 :: 8.789 HA :: 3.221 HB :: 1.599 HG12 :: 0.663 HG13 :: 1.574 HG21 :: 0.686 HG22 :: 0.686 HG23 :: 0.686 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.521 Ave N Shift Values>> N :: 121.6(4.72) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.26 R 0.12 A 0.09 G 0.02 C Shift Assignments>> C :: 176.973 CA :: 54.991 CB :: 42.367 CG :: 27.312 CD1 :: 25.573 CD2 :: 21.984 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 :: 8.820 HA :: 4.244 HB2 :: 1.298 HB3 :: 1.298 HG :: 1.744 HD11 :: 0.879 HD12 :: 0.879 HD13 :: 0.879 HD21 :: 0.844 HD22 :: 0.844 HD23 :: 0.844 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.494 Ave N Shift Values>> N :: 121.98(4.07) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.15 C 0.09 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 169.186 CA :: 44.858 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.443 HA2 :: 3.352 HA3 :: 3.730 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.710 Ave N Shift Values>> N :: 109.91(4.29) 1.S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.9 T 0.09 C Shift Assignments>> C :: 173.712 CA :: 55.835 CB :: 66.441 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.004 HA :: 5.081 HB2 :: 3.048 HB3 :: 3.469 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 :: 110.924 Ave N Shift Values>> N :: 116.3(3.95) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 C 0.47 A 0.01 G 0.01 C Shift Assignments>> C :: 172.724 CA :: 58.545 CB :: 42.040 CG1 :: 26.655 CG2 :: 17.173 CD1 :: 13.708 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 :: 8.949 HA :: 4.318 HB :: 1.586 HG12 :: 0.705 HG13 :: 1.275 HG21 :: 0.191 HG22 :: 0.191 HG23 :: 0.191 HD11 :: 0.275 HD12 :: 0.275 HD13 :: 0.275 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 :: 122.250 Ave N Shift Values>> N :: 121.6(4.72) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 62.991 CB :: 31.685 CG :: 27.593 CD :: 50.791 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 :: 4.504 HB2 :: 2.046 HB3 :: 2.270 HG2 :: 2.228 HG3 :: 1.920 HD2 :: 3.503 HD3 :: 3.809 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) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.35 C 0.29 R 0.2 G 0.09 A 0.05 C Shift Assignments>> C :: 176.819 CA :: 55.730 CB :: 43.365 CG :: 26.640 CD1 :: 27.165 CD2 :: 22.149 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>> HA :: 3.829 HB2 :: 1.370 HB3 :: 1.370 HG :: 1.545 HD11 :: 0.709 HD12 :: 0.709 HD13 :: 0.709 HD21 :: 0.292 HD22 :: 0.292 HD23 :: 0.292 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) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.34 R 0.09 C Shift Assignments>> C :: 178.805 CA :: 58.052 CB :: 41.885 CG :: 27.083 CD1 :: 25.523 CD2 :: 24.504 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 :: 7.883 HA :: 4.159 HB2 :: 1.687 HB3 :: 1.687 HG :: 1.715 HD11 :: 0.948 HD12 :: 0.948 HD13 :: 0.948 HD21 :: 0.957 HD22 :: 0.957 HD23 :: 0.957 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 :: 120.557 Ave N Shift Values>> N :: 121.98(4.07) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.M115 1.M115 C Shift Assignments>> C :: 174.350 CA :: 61.360 CB :: 62.854 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.127 HA :: 4.139 HB2 :: 3.849 HB3 :: 4.070 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.204 Ave N Shift Values>> N :: 116.3(3.95) 1.F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.41 C Shift Assignments>> C :: 175.306 CA :: 58.932 CB :: 39.582 CD1 :: 130.817 CD2 :: 130.817 CE1 :: 131.982 CE2 :: 131.982 CZ :: 129.705 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 :: 8.704 HA :: 4.556 HB2 :: 2.482 HB3 :: 3.444 HD1 :: 6.982 HD2 :: 6.982 HE1 :: 7.234 HE2 :: 7.234 HZ :: 7.316 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.423 Ave N Shift Values>> N :: 120.69(4.18) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.35 K 0.13 G 0.1 C Shift Assignments>> C :: 176.188 CA :: 55.202 CB :: 31.852 CG :: 27.554 CD :: 43.612 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.060 HA :: 4.738 HB2 :: 1.927 HB3 :: 1.859 HG2 :: 1.577 HG3 :: 1.747 HD2 :: 3.243 HD3 :: 3.243 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.020 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 175.154 CA :: 60.973 CB :: 33.003 CG1 :: 22.434 CG2 :: 20.215 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.048 HA :: 5.521 HB :: 1.990 HG11 :: 1.155 HG12 :: 1.155 HG13 :: 1.155 HG21 :: 0.876 HG22 :: 0.876 HG23 :: 0.876 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 :: 128.070 Ave N Shift Values>> N :: 121.02(4.96) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.19 A 0.11 K 0.09 M 0.08 R 0.01 P 0.01 C Shift Assignments>> C :: 175.572 CA :: 51.472 CB :: 23.424 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.891 HA :: 4.710 HB1 :: 1.464 HB2 :: 1.464 HB3 :: 1.464 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.127 Ave N Shift Values>> N :: 123.23(3.7) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.25 C 0.02 C Shift Assignments>> C :: 177.657 CA :: 52.985 CB :: 18.893 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.910 HA :: 4.462 HB1 :: 1.538 HB2 :: 1.538 HB3 :: 1.538 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.416 Ave N Shift Values>> N :: 123.23(3.7) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 175.300 CA :: 62.486 CB :: 32.811 CG1 :: 22.983 CG2 :: 20.556 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 :: 7.568 HA :: 4.314 HB :: 2.340 HG11 :: 1.089 HG12 :: 1.089 HG13 :: 1.089 HG21 :: 1.025 HG22 :: 1.025 HG23 :: 1.025 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 :: 115.278 Ave N Shift Values>> N :: 121.02(4.96) 1.Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.27 K 0.19 M 0.14 E 0.08 R 0.02 C Shift Assignments>> C :: 176.043 CA :: 53.408 CB :: 29.852 CG :: 33.886 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 :: 9.305 HA :: 4.818 HB2 :: 2.287 HB3 :: 1.825 HG2 :: 2.448 HG3 :: 2.448 HE21 :: 7.616 HE22 :: 6.968 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 :: 123.968 NE2 :: 113.438 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 178.264 CA :: 65.863 CB :: 31.688 CG :: 27.905 CD :: 50.519 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 :: 4.350 HB2 :: 1.972 HB3 :: 2.402 HG2 :: 2.038 HG3 :: 2.217 HD2 :: 3.849 HD3 :: 3.921 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) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.082 CA :: 59.495 CB :: 62.854 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.048 HA :: 4.237 HB2 :: 3.835 HB3 :: 4.015 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 :: 110.613 Ave N Shift Values>> N :: 116.3(3.95) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 L 0.18 D 0.13 F 0.13 C 0.12 Y 0.11 R 0.06 N 0.02 I 0.01 HN Overlap>> 1.V95 1.V95 C Shift Assignments>> C :: 175.682 CA :: 56.363 CB :: 41.391 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 :: 8.172 HA :: 4.551 HB2 :: 2.877 HB3 :: 2.731 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 :: 120.062 Ave N Shift Values>> N :: 120.73(4.2) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 C 0.25 Y 0.11 E 0.09 F 0.07 D 0.06 M 0.03 I 0.01 L 0.01 K 0.01 HN Overlap>> 1.N19 1.N19 C Shift Assignments>> C :: 173.974 CA :: 54.217 CB :: 37.467 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 :: 7.979 HA :: 4.352 HB2 :: 2.632 HB3 :: 2.947 HD21 :: 7.459 HD22 :: 6.727 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 :: 114.425 ND2 :: 112.632 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.46 HN Overlap>> 1.W111 1.W111 C Shift Assignments>> C :: 175.898 CA :: 59.284 CB :: 39.006 CG1 :: 26.655 CG2 :: 18.221 CD1 :: 11.196 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 :: 8.410 HA :: 4.270 HB :: 1.759 HG12 :: 1.039 HG13 :: 1.011 HG21 :: 0.994 HG22 :: 0.994 HG23 :: 0.994 HD11 :: 0.254 HD12 :: 0.254 HD13 :: 0.254 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.654 Ave N Shift Values>> N :: 121.6(4.72) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.155 CA :: 58.334 CB :: 63.660 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.368 HB2 :: 3.758 HB3 :: 3.758 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) 1.R84 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.43 R 0.28 K 0.26 L 0.01 C Shift Assignments>> C :: 176.163 CA :: 56.276 CB :: 30.306 CG :: 27.329 CD :: 41.161 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.966 HA :: 3.854 HB2 :: 1.032 HB3 :: 1.032 HG2 :: 0.832 HG3 :: 0.718 HD2 :: 0.877(A) HD3 :: 1.220(S) HE :: 5.795 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 :: 123.811 NE :: 82.783 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD2 > HB2 : 0.9950) (HD2 > HB3 : 0.9951) 1.K85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.2 M 0.02 C Shift Assignments>> C :: 175.903 CA :: 56.680 CB :: 32.428 CG :: 25.036 CD :: 28.941 CE :: 41.885 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 :: 8.274 HA :: 3.870 HB2 :: 0.515(S) HB3 :: 1.049 HG2 :: 1.100 HG3 :: 1.209 HD2 :: 1.448 HD3 :: 1.448 HE2 :: 2.874 HE3 :: 2.874 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.515 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 C 0.33 W 0.29 C Shift Assignments>> C :: 176.266 CA :: 55.026 CB :: 27.186 CE1 :: 137.978 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 :: 8.554 HA :: 4.370 HB2 :: 3.793 HB3 :: 2.671 HD2 :: 6.656 HE1 :: 7.784 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 :: 115.817 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.14 C Shift Assignments>> C :: 174.960 CA :: 62.098 CB :: 69.490 CG2 :: 23.300 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 :: 8.212 HA :: 5.526 HB :: 3.991 HG21 :: 1.356 HG22 :: 1.356 HG23 :: 1.356 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 :: 114.408 Ave N Shift Values>> N :: 115.7(5.05) 1.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.44 C Shift Assignments>> C :: 170.775 CA :: 56.028 CB :: 41.638 CD1 :: 132.972 CD2 :: 132.972 CE1 :: 130.451 CE2 :: 130.451 CZ :: 130.441 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 :: 9.748 HA :: 5.282 HB2 :: 3.084 HB3 :: 3.084 HD1 :: 7.072 HD2 :: 7.072 HE1 :: 6.982 HE2 :: 6.982 HZ :: 6.494 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 :: 123.664 Ave N Shift Values>> N :: 120.69(4.18) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 A 0.1 R 0.08 M 0.06 G 0.05 K 0.04 C Shift Assignments>> C :: 173.578 CA :: 53.197 CB :: 37.444 CG :: 23.198 CD :: 30.639 CE :: 42.296 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 :: 9.544 HA :: 5.553 HB2 :: 1.429 HB3 :: 1.179 HG2 :: 1.098 HG3 :: 1.098 HD2 :: 1.567 HD3 :: 1.425 HE2 :: 2.961 HE3 :: 2.794 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 :: 117.529 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.09 C 0.06 L 0.04 C Shift Assignments>> C :: 175.088 CA :: 50.382 CB :: 20.997 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.701 HA :: 5.393 HB1 :: 1.376 HB2 :: 1.376 HB3 :: 1.376 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.578 Ave N Shift Values>> N :: 123.23(3.7) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 M 0.15 E 0.05 C Shift Assignments>> C :: 174.299 CA :: 54.745 CB :: 34.598 CG :: 36.018 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 :: 9.438 HA :: 4.926 HB2 :: 2.045 HB3 :: 1.833 HG2 :: 2.142 HG3 :: 2.003 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.955 Ave N Shift Values>> N :: 120.68(3.68) 1.H92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> H 0.43 W 0.29 C 0.27 C Shift Assignments>> C :: 174.530 CA :: 54.006 CB :: 30.490 CD2 :: 118.909 CE1 :: 138.101 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 :: 8.772 HA :: 4.450 HB2 :: 2.424 HB3 :: 1.295(S) HD2 :: 6.677 HE1 :: 7.859 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 :: 127.271 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.45 C 0.02 I 0.02 C Shift Assignments>> C :: 178.490 CA :: 54.534 CB :: 17.987 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.715 HA :: 4.011 HB1 :: 1.297 HB2 :: 1.297 HB3 :: 1.297 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.680 Ave N Shift Values>> N :: 123.23(3.7) 1.G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.675 CA :: 45.350 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.075 HA2 :: 3.701 HA3 :: 4.046 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.081 Ave N Shift Values>> N :: 109.91(4.29) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 HN Overlap>> 1.D80 1.D80 C Shift Assignments>> C :: 175.293 CA :: 63.048 CB :: 34.501 CG1 :: 20.154 CG2 :: 21.010 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 :: 8.102 HA :: 4.091 HB :: 1.421 HG11 :: 0.418 HG12 :: 0.418 HG13 :: 0.418 HG21 :: 0.862 HG22 :: 0.862 HG23 :: 0.862 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 :: 120.086 Ave N Shift Values>> N :: 121.02(4.96) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.37 K 0.16 G 0.05 HN Overlap>> 1.K9 1.K9 C Shift Assignments>> C :: 173.910 CA :: 56.335 CB :: 31.688 CG :: 26.566 CD :: 43.214 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.167 HA :: 4.319 HB2 :: 1.738 HB3 :: 1.700 HG2 :: 1.391 HG3 :: 1.303 HD2 :: 3.111 HD3 :: 3.111 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.912 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 172.906 CA :: 62.521 CB :: 70.367 CG2 :: 23.711 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 :: 8.223 HA :: 4.499 HB :: 3.626 HG21 :: 0.434 HG22 :: 0.434 HG23 :: 0.434 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.885 Ave N Shift Values>> N :: 115.7(5.05) 1.Y98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.37 G 0.01 C Shift Assignments>> C :: 173.556 CA :: 56.739 CB :: 41.889 CD1 :: 132.912 CD2 :: 132.912 CE1 :: 118.332 CE2 :: 118.332 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 :: 8.509 HA :: 4.374 HB2 :: 2.188 HB3 :: 2.468 HD1 :: 6.968 HD2 :: 6.968 HE1 :: 6.800 HE2 :: 6.800 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 :: 125.248 Ave N Shift Values>> N :: 120.79(4.69) 1.F99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.32 G 0.04 C Shift Assignments>> C :: 173.744 CA :: 57.313 CB :: 42.687 CD1 :: 131.765 CD2 :: 131.765 CE1 :: 131.066 CE2 :: 131.066 CZ :: 129.719 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 :: 8.229 HA :: 4.887 HB2 :: 2.387 HB3 :: 2.736 HD1 :: 6.911 HD2 :: 6.911 HE1 :: 7.126 HE2 :: 7.126 HZ :: 7.275 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 :: 118.438 Ave N Shift Values>> N :: 120.69(4.18) 1.F100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.41 C 0.35 G 0.23 C Shift Assignments>> C :: 174.422 CA :: 54.498 CB :: 43.423 CD1 :: 132.014 CD2 :: 132.014 CE1 :: 129.391 CE2 :: 129.391 CZ :: 127.324 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 :: 8.608 HA :: 5.636 HB2 :: 0.768(S) HB3 :: 2.150 HD1 :: 6.236 HD2 :: 6.236 HE1 :: 6.544 HE2 :: 6.544 HZ :: 6.291 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 :: 118.570 Ave N Shift Values>> N :: 120.69(4.18) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.547 CA :: 57.032 CB :: 65.188 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.317 HA :: 5.280 HB2 :: 3.084 HB3 :: 3.423 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 :: 113.774 Ave N Shift Values>> N :: 116.3(3.95) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 L 0.2 C 0.17 M 0.09 K 0.01 C Shift Assignments>> C :: 176.560 CA :: 50.100 CB :: 22.292 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.537 HA :: 5.228 HB1 :: 1.794 HB2 :: 1.794 HB3 :: 1.794 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.859 Ave N Shift Values>> N :: 123.23(3.7) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.35 I 0.1 M 0.07 K 0.01 C Shift Assignments>> C :: 175.707 CA :: 57.560 CB :: 31.048 CG :: 37.608 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 :: 9.233 HA :: 4.478 HB2 :: 2.317 HB3 :: 2.219 HG2 :: 2.567 HG3 :: 2.365 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.741 Ave N Shift Values>> N :: 120.68(3.68) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.682 CA :: 55.202 CB :: 64.005 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.431 HA :: 4.290 HB2 :: 3.876 HB3 :: 4.232 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 :: 110.631 Ave N Shift Values>> N :: 116.3(3.95) 1.P105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 179.008 CA :: 64.737 CB :: 31.728 CG :: 27.494 CD :: 50.539 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 :: 4.315 HB2 :: 1.989 HB3 :: 2.494 HG2 :: 2.119 HG3 :: 2.236 HD2 :: 3.887 HD3 :: 3.331 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) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 C 0.32 E 0.17 K 0.02 C Shift Assignments>> C :: 180.261 CA :: 60.656 CB :: 28.351 CG :: 37.035 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 :: 8.952 HA :: 4.029 HB2 :: 1.922 HB3 :: 2.079 HG2 :: 2.264 HG3 :: 2.495 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 :: 118.153 Ave N Shift Values>> N :: 120.68(3.68) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.35 I 0.14 M 0.07 K 0.01 C Shift Assignments>> C :: 178.027 CA :: 58.510 CB :: 31.030 CG :: 37.280 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 :: 7.808 HA :: 4.388 HB2 :: 2.110 HB3 :: 2.391 HG2 :: 2.309 HG3 :: 2.522 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.001 Ave N Shift Values>> N :: 120.68(3.68) 1.Q108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.24 Q 0.17 R 0.11 E 0.04 P 0.03 M 0.03 I 0.02 C Shift Assignments>> C :: 176.618 CA :: 59.882 CB :: 28.553 CG :: 33.003 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 :: 7.991 HA :: 3.702 HB2 :: 2.807 HB3 :: 2.072 HG2 :: 2.208 HG3 :: 2.016 HE21 :: 7.387 HE22 :: 6.803 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.565 NE2 :: 110.582 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 I 0.16 K 0.1 Q 0.05 M 0.02 C Shift Assignments>> C :: 178.606 CA :: 59.248 CB :: 29.221 CG :: 35.880 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 :: 8.150 HA :: 3.861 HB2 :: 2.046 HB3 :: 1.974 HG2 :: 2.242 HG3 :: 2.333 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.287 Ave N Shift Values>> N :: 120.68(3.68) 1.A110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.42 C 0.03 I 0.02 HN Overlap>> 1.A114 1.A114 C Shift Assignments>> C :: 181.739 CA :: 54.850 CB :: 18.321 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.959 HA :: 4.039 HB1 :: 1.293 HB2 :: 1.293 HB3 :: 1.293 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.888 Ave N Shift Values>> N :: 123.23(3.7) 1.W111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.6 C 0.37 H 0.01 HN Overlap>> 1.I82 1.I82 C Shift Assignments>> C :: 178.428 CA :: 61.395 CB :: 30.599 CD1 :: 128.162 CE3 :: 119.531 CZ2 :: 114.230 CZ3 :: 120.385 CH2 :: 123.865 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 :: 8.429 HA :: 4.059 HB2 :: 2.804 HB3 :: 2.804 HD1 :: 7.195 HE1 :: 10.954 HE3 :: 7.152 HZ2 :: 6.718 HZ3 :: 6.511 HH2 :: 6.546 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 :: 119.686 NE1 :: 130.939 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 179.482 CA :: 66.004 CB :: 38.037 CG1 :: 30.207 CG2 :: 17.156 CD1 :: 15.405 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 :: 8.057 HA :: 3.259 HB :: 1.660 HG12 :: 1.088 HG13 :: 0.284 HG21 :: 0.784 HG22 :: 0.784 HG23 :: 0.784 HD11 :: 0.738 HD12 :: 0.738 HD13 :: 0.738 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 :: 120.954 Ave N Shift Values>> N :: 121.6(4.72) 1.Q113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.24 Q 0.22 R 0.12 E 0.05 M 0.02 I 0.02 P 0.01 C Shift Assignments>> C :: 178.390 CA :: 58.897 CB :: 27.952 CG :: 33.332 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 :: 8.035 HA :: 3.973 HB2 :: 2.032 HB3 :: 2.032 HG2 :: 2.431 HG3 :: 2.346 HE21 :: 6.745 HE22 :: 7.662 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 :: 118.886 NE2 :: 112.344 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.39 I 0.03 C 0.03 HN Overlap>> 1.A110 1.A110 C Shift Assignments>> C :: 180.992 CA :: 55.026 CB :: 18.314 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.920 HA :: 4.043 HB1 :: 1.120 HB2 :: 1.120 HB3 :: 1.120 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.841 Ave N Shift Values>> N :: 123.23(3.7) 1.M115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 M 0.29 I 0.01 HN Overlap>> 1.S70 1.S70 C Shift Assignments>> C :: 177.600 CA :: 60.158 CB :: 33.541 CG :: 33.901 CE :: 18.411 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.203 HA :: 3.864 HB2 :: 2.225 HB3 :: 1.820 HG2 :: 3.045 HG3 :: 2.338 HE1 :: 1.064 HE2 :: 1.064 HE3 :: 1.064 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 :: 116.179 Ave N Shift Values>> N :: 120.1(3.88) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.17 L 0.04 C Shift Assignments>> C :: 176.762 CA :: 46.934 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.345 HA2 :: 3.788 HA3 :: 4.108 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.246 Ave N Shift Values>> N :: 109.91(4.29) 1.E117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.18 K 0.08 Q 0.02 M 0.02 C Shift Assignments>> C :: 178.637 CA :: 58.861 CB :: 29.263 CG :: 36.375 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 :: 7.905 HA :: 4.119 HB2 :: 2.107 HB3 :: 2.044 HG2 :: 2.363 HG3 :: 2.305 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 :: 121.374 Ave N Shift Values>> N :: 120.68(3.68) 1.A118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.33 C 0.04 L 0.02 C Shift Assignments>> C :: 177.845 CA :: 53.935 CB :: 19.846 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.472 HA :: 4.162 HB1 :: 1.497 HB2 :: 1.497 HB3 :: 1.497 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.202 Ave N Shift Values>> N :: 123.23(3.7) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.23 L 0.14 C 0.07 C Shift Assignments>> C :: 178.673 CA :: 53.056 CB :: 21.194 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.677 HA :: 4.228 HB1 :: 1.663 HB2 :: 1.663 HB3 :: 1.663 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.596 Ave N Shift Values>> N :: 123.23(3.7) 1.R120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.38 G 0.11 K 0.08 C Shift Assignments>> C :: 175.916 CA :: 57.008 CB :: 31.324 CG :: 27.262 CD :: 43.776 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.254 HA :: 4.254 HB2 :: 1.906 HB3 :: 1.906 HG2 :: 1.629 HG3 :: 1.766 HD2 :: 3.243 HD3 :: 3.243 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.206 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 175.541 CA :: 62.908 CB :: 32.647 CG1 :: 21.292 CG2 :: 21.006 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 :: 8.369 HA :: 4.066 HB :: 2.093 HG11 :: 0.987 HG12 :: 0.987 HG13 :: 0.987 HG21 :: 1.018 HG22 :: 1.018 HG23 :: 1.018 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.870 Ave N Shift Values>> N :: 121.02(4.96) 1.Q122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.21 E 0.18 M 0.17 K 0.13 R 0.01 I 0.01 C Shift Assignments>> C :: 180.283 CA :: 57.428 CB :: 30.619 CG :: 34.217 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 :: 7.995 HA :: 4.191 HB2 :: 2.079 HB3 :: 1.953 HG2 :: 2.293 HG3 :: 2.293 HE21 :: 7.586 HE22 :: 6.869 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 :: 128.927 NE2 :: 112.426 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) ########################################################################### Overall Results: #Consistent: 109 #Clerical: 0 #Suspicious: 8 #Anomalous: 5 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 113 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 120 #Suspicious: 2 C Shift Results: #Consistent: 519 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 775 #Duplicate: 0 #Unknown: 0 #Suspicious: 23 #Anomalous: 8 N Shift Results: #Consistent: 116 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R16 HB3 = 0.158(S), Expected = 1.78, Std = 0.2800, ChiSquare = 6.9199e-09 1.R16 HD2 = 2.300(S), Expected = 3.13, Std = 0.2300, ChiSquare = 3.0774e-04 1.K24 HB2 = 0.674(S), Expected = 1.79, Std = 0.2500, ChiSquare = 8.0444e-06 1.K24 HG3 = -0.205(S), Expected = 1.37, Std = 0.2900, ChiSquare = 5.6028e-08 1.K24 HD2 = -0.513(A), Expected = 1.61, Std = 0.2500, ChiSquare = 2.0311e-17 1.K24 HD3 = 0.697(S), Expected = 1.61, Std = 0.2500, ChiSquare = 2.6021e-04 1.K24 HE2 = 1.543(S), Expected = 2.93, Std = 0.2000, ChiSquare = 4.0622e-12 1.K24 HE3 = 1.015(A), Expected = 2.93, Std = 0.2000, ChiSquare = 1.0186e-21 1.K24 SRO Rule Break>> HE3 > HB3 : 0.997380484610347 1.L28 HD11 = -1.305(A), Expected = 0.77, Std = 0.2700, ChiSquare = 1.5278e-14 1.L28 HD12 = -1.305(A), Expected = 0.77, Std = 0.2700, ChiSquare = 1.5278e-14 1.L28 HD13 = -1.305(A), Expected = 0.77, Std = 0.2700, ChiSquare = 1.5278e-14 1.Q31 HB3 = 0.116(S), Expected = 2.04, Std = 0.2900, ChiSquare = 3.2564e-11 1.Q31 HG3 = 0.830(S), Expected = 2.32, Std = 0.2900, ChiSquare = 2.7778e-07 1.K41 HG3 = 0.290(S), Expected = 1.37, Std = 0.2900, ChiSquare = 1.9598e-04 1.K41 HE2 = 1.910(S), Expected = 2.93, Std = 0.2000, ChiSquare = 3.3965e-07 1.K41 HE3 = 2.126(S), Expected = 2.93, Std = 0.2000, ChiSquare = 5.8198e-05 1.W43 HB2 = 1.622(S), Expected = 3.22, Std = 0.3600, ChiSquare = 9.0424e-06 1.Y53 HB2 = 1.459(S), Expected = 2.91, Std = 0.3700, ChiSquare = 8.7955e-05 1.Y53 HB3 = 1.677(S), Expected = 2.91, Std = 0.3700, ChiSquare = 8.6090e-04 1.E57 HA = 1.734(A), Expected = 4.26, Std = 0.4300, ChiSquare = 4.2433e-09 1.E57 HB2 = 0.713(S), Expected = 2.04, Std = 0.2200, ChiSquare = 1.6213e-09 1.E57 HB3 = 0.571(S), Expected = 2.04, Std = 0.2300, ChiSquare = 1.6922e-10 1.E57 HG2 = 1.067(S), Expected = 2.31, Std = 0.2100, ChiSquare = 3.2381e-09 1.E57 HG3 = 1.406(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.6717e-05 1.E59 HB3 = 1.098(S), Expected = 2.04, Std = 0.2300, ChiSquare = 4.2098e-05 1.E59 HG2 = 0.841(A), Expected = 2.31, Std = 0.2100, ChiSquare = 2.6481e-12 1.R84 HD2 = 0.877(A), Expected = 3.13, Std = 0.2300, ChiSquare = 1.1754e-22 1.R84 HD3 = 1.220(S), Expected = 3.13, Std = 0.2200, ChiSquare = 3.8949e-18 1.R84 SRO Rule Break>> HD2 > HB2 : 0.994969040247678 1.R84 SRO Rule Break>> HD2 > HB3 : 0.995112016293279 1.K85 HB2 = 0.515(S), Expected = 1.79, Std = 0.2500, ChiSquare = 3.3965e-07 1.H92 HB3 = 1.295(S), Expected = 3.11, Std = 0.4500, ChiSquare = 5.4991e-05 1.F100 HB2 = 0.768(S), Expected = 2.99, Std = 0.3700, ChiSquare = 1.9085e-09