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: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.400 CA :: 55.541 CB :: 60.940 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.373 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 :: 124.806 Ave N Shift Values>> N :: 116.3(3.95) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.72 D 0.13 Y 0.05 F 0.03 L 0.01 E 0.01 M 0.01 C Shift Assignments>> C :: 173.100 CA :: 51.490 CB :: 38.170 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 :: 8.404 HA :: 4.460 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 :: 122.016 Ave N Shift Values>> N :: 120.73(4.2) 1.H4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.72 W 0.27 HN Overlap>> 1.D107 1.D107 C Shift Assignments>> C :: 171.781 CA :: 53.285 CB :: 27.175 CE1 :: 134.100 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 :: 8.199 HA :: 4.509 HB2 :: 3.042 HB3 :: 2.985 HE1 :: 8.276 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 :: 118.900 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.2 E 0.15 R 0.13 I 0.1 H 0.1 Q 0.08 K 0.07 V 0.07 M 0.04 P 0.01 C Shift Assignments>> C :: 172.551 CA :: 59.577 CB :: 30.194 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 :: 8.014 HA :: 3.923 HB :: 1.877 HG11 :: 0.771 HG12 :: 0.771 HG13 :: 0.771 HG21 :: 0.771 HG22 :: 0.771 HG23 :: 0.771 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 :: 122.148 Ave N Shift Values>> N :: 121.02(4.96) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 D 0.17 Y 0.05 F 0.04 L 0.02 HN Overlap>> 1.L110 1.V103 1.L110 1.V103 C Shift Assignments>> C :: 173.531 CA :: 51.480 CB :: 38.526 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 :: 8.440 HA :: 4.133 HB2 :: 2.668 HB3 :: 2.479 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 :: 124.656 Ave N Shift Values>> N :: 120.73(4.2) 1.M7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 K 0.26 M 0.18 P 0.05 C Shift Assignments>> C :: 173.300 CA :: 52.442 CB :: 29.640 CG :: 29.489 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 :: 8.327 HA :: 4.453 HB2 :: 2.115 HB3 :: 1.823 HG2 :: 2.502 HG3 :: 2.405 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 :: 122.132 Ave N Shift Values>> N :: 120.1(3.88) 1.R8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 K 0.43 A 0.02 R 0.01 C Shift Assignments>> CA :: 53.424 CB :: 28.367 CG :: 24.044 CD :: 40.724 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 :: 8.104 HA :: 4.213 HB2 :: 1.721 HB3 :: 1.721 HG2 :: 1.501 HG3 :: 1.501 HD2 :: 3.105 HD3 :: 3.105 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 :: 121.000 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.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.69 S 0.29 HN Overlap>> 1.H83 1.H83 C Shift Assignments>> C :: 171.065 CA :: 60.740 CB :: 66.828 CG2 :: 19.759 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 :: 8.084 HA :: 4.241 HB :: 3.854 HG21 :: 1.101 HG22 :: 1.101 HG23 :: 1.101 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.500 Ave N Shift Values>> N :: 115.7(5.05) 1.I10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.75 A 0.24 C Shift Assignments>> C :: 170.800 CA :: 57.147 CB :: 36.653 CG1 :: 24.333 CG2 :: 15.685 CD1 :: 10.353 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 :: 9.196 HA :: 4.008 HB :: 0.649(S) HG12 :: 1.036 HG13 :: 1.036 HG21 :: 0.647 HG22 :: 0.647 HG23 :: 0.647 HD11 :: 0.588 HD12 :: 0.588 HD13 :: 0.588 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 :: 130.212 Ave N Shift Values>> N :: 121.6(4.72) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.83 S 0.16 C Shift Assignments>> C :: 171.700 CA :: 52.508 CB :: 64.309 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.006 HA :: 5.498 HB2 :: 3.077 HB3 :: 2.910 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 :: 116.625 Ave N Shift Values>> N :: 116.3(3.95) 1.F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.23 Y 0.09 F 0.08 L 0.05 E 0.01 C Shift Assignments>> C :: 169.500 CA :: 53.260 CB :: 38.910 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 :: 8.184 HA :: 4.764 HB2 :: 2.983 HB3 :: 2.983 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 :: 116.400 Ave N Shift Values>> N :: 120.69(4.18) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.77 D 0.11 Y 0.04 F 0.03 L 0.01 C Shift Assignments>> C :: 173.600 CA :: 50.554 CB :: 38.064 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 :: 8.474 HA :: 4.914 HB2 :: 2.503 HB3 :: 2.338 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 :: 120.928 Ave N Shift Values>> N :: 120.73(4.2) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 A 0.15 C Shift Assignments>> C :: 171.400 CA :: 56.522 CB :: 36.791 CG2 :: 14.268 CD1 :: 11.293 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 :: 8.675 HA :: 4.266 HB :: 1.445 HG21 :: 0.942 HG22 :: 0.942 HG23 :: 0.942 HD11 :: 0.524 HD12 :: 0.524 HD13 :: 0.524 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 :: 126.638 Ave N Shift Values>> N :: 121.6(4.72) 1.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.54 G 0.17 A 0.15 N 0.06 D 0.02 C Shift Assignments>> CD :: 48.478 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>> HD2 :: 3.962 HD3 :: 3.519 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) N Shift Assignments>> N :: 126.147 Ave N Shift Values>> N :: 127.4(10.05) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.95 L 0.02 P 0.01 C Shift Assignments>> CA :: 60.794 CB :: 28.720 CG :: 25.078 CD :: 47.353 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 :: 4.196 HB2 :: 1.962 HB3 :: 1.962 HG2 :: 1.565 HG3 :: 1.565 HD2 :: 3.768 HD3 :: 3.461 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) N Shift Assignments>> N :: 128.229 Ave N Shift Values>> N :: 127.4(10.05) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.73 M 0.09 R 0.08 K 0.06 C Shift Assignments>> C :: 171.600 CA :: 50.257 CB :: 29.600 CG :: 30.68 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 :: 8.531 HA :: 4.367 HG2 :: 2.107 HG3 :: 2.107 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 :: 121.800 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.43 K 0.31 E 0.1 R 0.1 M 0.02 P 0.01 HN Overlap>> 1.Y34 1.Y34 C Shift Assignments>> C :: 173.200 CA :: 53.212 CB :: 27.260 CG :: 34.517 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 :: 8.471 HA :: 4.862 HB2 :: 1.747 HB3 :: 1.747 HG2 :: 2.020 HG3 :: 1.833 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 :: 123.539 Ave N Shift Values>> N :: 120.68(3.68) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 A 0.12 HN Overlap>> 1.K99 1.K99 C Shift Assignments>> C :: 169.900 CA :: 56.578 CB :: 39.850 CG1 :: 25.127 CG2 :: 14.999 CD1 :: 12.084 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 :: 9.041 HA :: 4.220 HB :: 1.474 HG12 :: 0.891 HG13 :: 0.891 HG21 :: 0.619 HG22 :: 0.619 HG23 :: 0.619 HD11 :: 0.609 HD12 :: 0.609 HD13 :: 0.609 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 :: 127.551 Ave N Shift Values>> N :: 121.6(4.72) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 L 0.1 G 0.01 C Shift Assignments>> C :: 175.000 CA :: 50.320 CB :: 41.174 CG :: 24.273 CD1 :: 22.947 CD2 :: 21.433 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 :: 7.862 HA :: 4.943 HB2 :: 1.591 HB3 :: 1.299 HG :: 1.621 HD11 :: 0.713 HD12 :: 0.713 HD13 :: 0.713 HD21 :: 0.713 HD22 :: 0.713 HD23 :: 0.713 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 :: 126.500 Ave N Shift Values>> N :: 121.98(4.07) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 S 0.15 A 0.01 C Shift Assignments>> C :: 173.700 CA :: 59.528 CB :: 67.321 CG2 :: 20.745 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 :: 8.950 HA :: 4.650 HB :: 5.041 HG21 :: 0.778 HG22 :: 0.778 HG23 :: 0.778 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 :: 116.007 Ave N Shift Values>> N :: 115.7(5.05) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 A 0.37 R 0.09 M 0.05 K 0.02 V 0.01 C Shift Assignments>> C :: 174.300 CA :: 56.710 CB :: 29.360 CG :: 21.819 CD :: 26.642 CE :: 39.362 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 :: 8.444 HA :: 3.907 HB2 :: 1.460 HB3 :: 1.222 HG2 :: 1.266 HG3 :: 1.266 HD2 :: 1.438 HD3 :: 1.438 HE2 :: 2.844 HE3 :: 2.844 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 :: 123.000 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D23 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.86 M 0.05 N 0.01 Q 0.01 G 0.01 K 0.01 C Shift Assignments>> C :: 171.200 CA :: 49.411 CB :: 34.153(S) 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 :: 8.648 HA :: 4.548 HB2 :: 2.942 HB3 :: 2.542 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 :: 111.031 Ave N Shift Values>> N :: 120.73(4.2) 1.S24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 170.740 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.900 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 :: 110.500 Ave N Shift Values>> N :: 116.3(3.95) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 I 0.25 A 0.18 HN Overlap>> 1.A82 1.A82 C Shift Assignments>> C :: 172.971 CA :: 58.712 CB :: 29.668 CG1 :: 19.299 CG2 :: 18.465 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 :: 8.186 HA :: 4.611 HB :: 1.921 HG11 :: 0.786 HG12 :: 0.786 HG13 :: 0.786 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 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 :: 122.803 Ave N Shift Values>> N :: 121.02(4.96) 1.T26 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 :: 171.166 CA :: 60.540 CB :: 65.921 CG2 :: 18.651 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 :: 8.361 HA :: 4.808 HB :: 3.851 HG21 :: 0.979 HG22 :: 0.979 HG23 :: 0.979 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 :: 124.898 Ave N Shift Values>> N :: 115.7(5.05) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 A 0.24 HN Overlap>> 1.D90 1.D90 C Shift Assignments>> C :: 171.400 CA :: 56.253 CB :: 39.379 CG2 :: 15.925 CD1 :: 12.088 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 :: 8.965 HA :: 4.921 HB :: 1.613 HG21 :: 0.641 HG22 :: 0.641 HG23 :: 0.641 HD11 :: 0.469 HD12 :: 0.469 HD13 :: 0.469 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 :: 120.436 Ave N Shift Values>> N :: 121.6(4.72) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 P 0.05 C Shift Assignments>> C :: 171.900 CA :: 53.799 CB :: 61.669 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.319 HA :: 5.374 HB2 :: 3.418 HB3 :: 3.418 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 :: 114.296 Ave N Shift Values>> N :: 116.3(3.95) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 V 0.19 A 0.06 I 0.03 C Shift Assignments>> C :: 170.800 CA :: 57.861 CB :: 32.797 CG1 :: 19.250 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 :: 8.617 HA :: 4.997 HB :: 1.632 HG11 :: 0.809 HG12 :: 0.809 HG13 :: 0.809 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 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 :: 125.500 Ave N Shift Values>> N :: 121.02(4.96) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.29 L 0.05 G 0.05 F 0.03 Y 0.02 C Shift Assignments>> C :: 172.100 CA :: 49.200 CB :: 40.100 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 :: 8.273 HA :: 4.716 HB2 :: 3.052 HB3 :: 2.336 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 :: 125.857 Ave N Shift Values>> N :: 120.73(4.2) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.3 G 0.08 D 0.05 K 0.05 F 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 168.700 CA :: 43.369 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.787 HA2 :: 4.490 HA3 :: 3.880 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.714 Ave N Shift Values>> N :: 109.91(4.29) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 A 0.24 I 0.05 C Shift Assignments>> C :: 170.300 CA :: 58.575 CB :: 33.441 CG1 :: 18.629 CG2 :: 18.239 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 :: 9.059 HA :: 4.703 HB :: 1.722 HG11 :: 0.654 HG12 :: 0.654 HG13 :: 0.654 HG21 :: 0.654 HG22 :: 0.654 HG23 :: 0.654 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 :: 122.085 Ave N Shift Values>> N :: 121.02(4.96) 1.V33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.74 A 0.23 I 0.01 C Shift Assignments>> CA :: 57.916 CB :: 30.967 CG1 :: 19.690 CG2 :: 19.143 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 :: 8.110 HA :: 4.365 HB :: 0.348(S) HG11 :: 0.538 HG12 :: 0.538 HG13 :: 0.538 HG21 :: 0.538 HG22 :: 0.538 HG23 :: 0.538 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 :: 124.750 Ave N Shift Values>> N :: 121.02(4.96) 1.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.94 H 0.05 HN Overlap>> 1.E18 1.E18 C Shift Assignments>> C :: 173.000 CA :: 53.210 CB :: 36.810 CD1 :: 130.500 CD2 :: 130.500 CE1 :: 115.100 CE2 :: 115.100 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 :: 8.477 HA :: 5.176 HB2 :: 2.589 HB3 :: 2.589 HD1 :: 6.681 HD2 :: 6.681 HE1 :: 6.438 HE2 :: 6.438 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.600 Ave N Shift Values>> N :: 120.79(4.69) 1.Y35 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 172.4 CA :: 53.156 CB :: 39.581 CD1 :: 130.500 CD2 :: 130.500 CE1 :: 114.700 CE2 :: 114.700(A) 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 :: 9.828 HA :: 5.504 HB2 :: 3.057 HB3 :: 2.463 HD1 :: 6.915 HD2 :: 6.915 HE1 :: 6.551 HE2 :: 6.551 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.400 Ave N Shift Values>> N :: 120.79(4.69) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.84 A 0.07 R 0.06 C Shift Assignments>> C :: 172.400 CA :: 51.430 CB :: 31.693 CG :: 24.343 CD :: 40.719 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 :: 9.272 HA :: 4.806 HB2 :: 1.572 HB3 :: 1.572 HG2 :: 1.246 HG3 :: 1.246 HD2 :: 3.002 HD3 :: 3.002 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.243 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.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 V 0.25 C Shift Assignments>> C :: 172.700 CA :: 60.656 CB :: 29.140 CG1 :: 18.336 CG2 :: 18.482 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 :: 9.172 HA :: 4.100 HB :: 2.042 HG11 :: 0.922 HG12 :: 0.922 HG13 :: 0.922 HG21 :: 0.922 HG22 :: 0.922 HG23 :: 0.922 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 :: 123.893 Ave N Shift Values>> N :: 121.02(4.96) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 K 0.26 M 0.05 Q 0.02 P 0.01 C Shift Assignments>> C :: 172.707 CA :: 53.550 CB :: 27.460 CG :: 30.790 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 :: 8.671 HA :: 4.389 HB2 :: 1.793 HB3 :: 1.793 HG2 :: 2.130 HG3 :: 2.130 HE21 :: 6.785 HE22 :: 7.263 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 :: 127.465 NE2 :: 111.700 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 P 0.08 M 0.06 Y 0.03 D 0.02 E 0.02 F 0.01 K 0.01 C Shift Assignments>> C :: 171.900 CA :: 49.920 CB :: 36.433 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 :: 8.184 HA :: 4.716 HB2 :: 2.809 HB3 :: 2.660 HD21 :: 6.962 HD22 :: 7.731 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 :: 118.187 ND2 :: 112.900 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.36 C Shift Assignments>> C :: 175.800 CA :: 51.680 CB :: 16.206 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.804 HA :: 3.976 HB1 :: 1.333 HB2 :: 1.333 HB3 :: 1.333 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.161 Ave N Shift Values>> N :: 123.23(3.7) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.6 T 0.38 C Shift Assignments>> C :: 173.100 CA :: 61.748 CB :: 66.153 CG2 :: 19.068 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 :: 7.963 HA :: 4.005 HB :: 4.187 HG21 :: 1.103 HG22 :: 1.103 HG23 :: 1.103 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 :: 112.468 Ave N Shift Values>> N :: 115.7(5.05) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 L 0.02 C Shift Assignments>> C :: 175.200 CA :: 53.610 CB :: 39.413 CG :: 24.28 CD1 :: 22.10 CD2 :: 20.45 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 :: 7.333 HA :: 4.333 HB2 :: 1.503 HB3 :: 1.503 HG :: 1.511 HD11 :: 0.762 HD12 :: 0.762 HD13 :: 0.762 HD21 :: 0.762 HD22 :: 0.762 HD23 :: 0.762 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.765 Ave N Shift Values>> N :: 121.98(4.07) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.32 C Shift Assignments>> C :: 176.000 CA :: 51.379 CB :: 16.243 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.801 HA :: 4.290 HB1 :: 1.392 HB2 :: 1.392 HB3 :: 1.392 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.330 Ave N Shift Values>> N :: 123.23(3.7) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 M 0.1 V 0.07 C Shift Assignments>> C :: 174.100 CA :: 60.650 CB :: 29.463 CG1 :: 18.343 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 :: 7.612 HA :: 3.974 HB :: 2.076 HG11 :: 0.869 HG12 :: 0.869 HG13 :: 0.869 HG21 :: 0.869 HG22 :: 0.869 HG23 :: 0.869 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 :: 115.156 Ave N Shift Values>> N :: 121.02(4.96) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.24 C Shift Assignments>> C :: 175.400 CA :: 50.781 CB :: 16.440 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.817 HA :: 4.172 HB1 :: 1.329 HB2 :: 1.329 HB3 :: 1.329 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.140 Ave N Shift Values>> N :: 123.23(3.7) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.74 M 0.06 Y 0.04 D 0.04 E 0.03 F 0.02 P 0.01 K 0.01 C Shift Assignments>> C :: 172.600 CA :: 50.953 CB :: 36.690 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 :: 7.859 HA :: 4.637 HB2 :: 2.721 HB3 :: 2.721 HD21 :: 6.801 HD22 :: 7.484 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 :: 115.325 ND2 :: 113.000 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 173.200 CA :: 58.757 CB :: 36.134 CG1 :: 25.231 CG2 :: 14.923 CD1 :: 10.473 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.772 HA :: 4.026 HB :: 1.673 HG12 :: 1.171 HG13 :: 1.171 HG21 :: 0.643 HG22 :: 0.643 HG23 :: 0.643 HD11 :: 0.568 HD12 :: 0.568 HD13 :: 0.568 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 :: 120.048 Ave N Shift Values>> N :: 121.6(4.72) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.76 T 0.22 C Shift Assignments>> C :: 172.200 CA :: 60.968 CB :: 66.117 CG2 :: 18.944 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 :: 7.853 HA :: 4.008 HB :: 3.995 HG21 :: 1.030 HG22 :: 1.030 HG23 :: 1.030 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 :: 116.317 Ave N Shift Values>> N :: 115.7(5.05) 1.N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 M 0.13 P 0.07 E 0.05 Y 0.04 K 0.03 D 0.01 F 0.01 Q 0.01 C Shift Assignments>> C :: 173.100 CA :: 50.971 CB :: 36.010 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 :: 7.928 HA :: 4.450 HB2 :: 2.620 HB3 :: 2.620 HD21 :: 6.901 HD22 :: 7.535 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 :: 119.914 ND2 :: 113.200 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.48 C Shift Assignments>> C :: 176.624 CA :: 52.356 CB :: 15.831 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.405 HA :: 3.410 HB1 :: 1.314 HB2 :: 1.314 HB3 :: 1.314 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.200 Ave N Shift Values>> N :: 123.23(3.7) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 Y 0.21 D 0.2 F 0.18 L 0.06 E 0.03 I 0.02 C Shift Assignments>> C :: 174.611 CA :: 55.179 CB :: 38.915 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 :: 8.354 HA :: 4.006 HB2 :: 2.573 HB3 :: 2.573 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 :: 120.333 Ave N Shift Values>> N :: 120.73(4.2) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.792 CA :: 58.715 CB :: 59.749 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.935 HA :: 4.684 HB2 :: 3.700 HB3 :: 3.655 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 :: 114.489 Ave N Shift Values>> N :: 116.3(3.95) 1.A53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.67 A 0.31 C Shift Assignments>> C :: 177.787 CA :: 52.301 CB :: 14.958 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.007 HA :: 3.749 HB1 :: 0.541(S) HB2 :: 0.541(S) HB3 :: 0.541(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.165 Ave N Shift Values>> N :: 123.23(3.7) 1.T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 V 0.11 C Shift Assignments>> C :: 176.500 CB :: 65.307 CG2 :: 17.378 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 :: 7.762 HA :: 4.361 HB :: 3.608 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 0.786 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.300 Ave N Shift Values>> N :: 115.7(5.05) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 K 0.24 I 0.22 R 0.01 C Shift Assignments>> C :: 176.600 CA :: 57.236 CB :: 26.719 CD :: 40.631 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 :: 7.677 HA :: 3.487 HB2 :: 1.334 HB3 :: 1.257 HD2 :: 2.460 HD3 :: 2.460 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 :: 121.800 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.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 L 0.01 C Shift Assignments>> C :: 176.900 CA :: 55.247 CB :: 38.629 CG :: 24.21 CD1 :: 21.080 CD2 :: 20.605 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 :: 7.665 HA :: 3.969 HB2 :: 1.515 HB3 :: 1.515 HG :: 1.525 HD11 :: 0.721 HD12 :: 0.721 HD13 :: 0.721 HD21 :: 0.721 HD22 :: 0.721 HD23 :: 0.721 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 :: 120.200 Ave N Shift Values>> N :: 121.98(4.07) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 L 0.02 C Shift Assignments>> C :: 178.100 CA :: 53.468 CB :: 39.384 CG :: 24.285 CD1 :: 20.439 CD2 :: 23.373 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 :: 8.071 HA :: 4.081 HB2 :: 1.392 HB3 :: 1.738 HG :: 1.721 HD11 :: 0.739 HD12 :: 0.739 HD13 :: 0.739 HD21 :: 0.739 HD22 :: 0.739 HD23 :: 0.739 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 :: 120.628 Ave N Shift Values>> N :: 121.98(4.07) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.35 I 0.01 C Shift Assignments>> C :: 175.400 CA :: 53.261 CB :: 15.743 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.746 HA :: 3.884 HB1 :: 1.560 HB2 :: 1.560 HB3 :: 1.560 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.956 Ave N Shift Values>> N :: 123.23(3.7) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 K 0.39 Q 0.07 M 0.03 C Shift Assignments>> C :: 174.900 CA :: 57.183 CB :: 26.213 CG :: 31.663 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 :: 7.572 HA :: 3.693 HB2 :: 2.176 HB3 :: 2.176 HG2 :: 2.415 HG3 :: 2.415 HE21 :: 6.819 HE22 :: 7.187 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 :: 116.508 NE2 :: 110.700 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 S 0.2 C Shift Assignments>> C :: 173.400 CA :: 63.447 CB :: 66.301 CG2 :: 19.107 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 :: 8.178 HA :: 3.751 HB :: 4.095 HG21 :: 1.157 HG22 :: 1.157 HG23 :: 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 :: 114.936 Ave N Shift Values>> N :: 115.7(5.05) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.75 T 0.24 C Shift Assignments>> C :: 172.300 CA :: 65.203 CB :: 64.814 CG2 :: 18.412 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 :: 8.441 HA :: 4.026 HB :: 3.812 HG21 :: 1.127 HG22 :: 1.127 HG23 :: 1.127 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 :: 118.500 Ave N Shift Values>> N :: 115.7(5.05) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 L 0.18 C Shift Assignments>> C :: 175.000 CA :: 56.300 CB :: 39.633 CG :: 23.566 CD1 :: 21.466 CD2 :: 23.543 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 :: 7.814 HA :: 3.967 HB2 :: 1.734 HB3 :: 1.436 HG :: 1.338 HD11 :: 0.639 HD12 :: 0.639 HD13 :: 0.639 HD21 :: 0.639 HD22 :: 0.639 HD23 :: 0.639 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.734 Ave N Shift Values>> N :: 121.98(4.07) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 K 0.47 R 0.03 C Shift Assignments>> C :: 176.400 CA :: 57.481 CB :: 27.520 CG :: 25.107 CD :: 40.710 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 :: 7.295 HA :: 3.703 HB2 :: 1.825 HB3 :: 1.825 HG2 :: 1.173 HG3 :: 1.173 HD2 :: 3.197 HD3 :: 3.241 HE :: 7.279 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.300 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.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 N 0.18 E 0.13 K 0.13 Q 0.12 Y 0.04 H 0.02 W 0.01 F 0.01 R 0.01 C Shift Assignments>> C :: 175.800 CA :: 52.922 CB :: 35.178 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 :: 8.315 HA :: 4.315 HB2 :: 2.866 HB3 :: 2.717 HD21 :: 6.805 HD22 :: 7.522 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 :: 118.450 ND2 :: 111.400 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 I 0.15 C Shift Assignments>> C :: 176.900 CA :: 63.190 CB :: 29.020 CG1 :: 20.140 CG2 :: 18.575 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 :: 8.664 HA :: 3.723 HB :: 1.932 HG11 :: 0.931 HG12 :: 0.931 HG13 :: 0.931 HG21 :: 0.931 HG22 :: 0.931 HG23 :: 0.931 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 :: 118.562 Ave N Shift Values>> N :: 121.02(4.96) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 L 0.16 V 0.03 C Shift Assignments>> C :: 175.100 CA :: 55.754 CB :: 37.494 CG :: 24.960 CD1 :: 23.904 CD2 :: 21.293 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 :: 7.889 HA :: 3.855 HB2 :: 1.849 HB3 :: 1.236 HG :: 1.897 HD11 :: 0.735 HD12 :: 0.735 HD13 :: 0.735 HD21 :: 0.735 HD22 :: 0.735 HD23 :: 0.735 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.381 Ave N Shift Values>> N :: 121.98(4.07) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.29 G 0.07 D 0.05 K 0.05 F 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 172.000 CA :: 43.317 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.475 HA2 :: 4.255 HA3 :: 3.823 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.800 Ave N Shift Values>> N :: 109.91(4.29) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.43 S 0.4 A 0.15 C Shift Assignments>> C :: 171.300 CA :: 58.748 CB :: 67.486 CG2 :: 18.687 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 :: 7.227 HA :: 4.370 HB :: 4.427 HG21 :: 1.245 HG22 :: 1.245 HG23 :: 1.245 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 :: 106.200 Ave N Shift Values>> N :: 115.7(5.05) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 M 0.01 C Shift Assignments>> C :: 173.400 CA :: 50.020 CB :: 32.230 CG :: 21.339 CD :: 25.992 CE :: 39.549 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 :: 7.510 HA :: 4.590 HB2 :: 1.705 HB3 :: 1.705 HG2 :: 1.062 HG3 :: 1.062 HD2 :: 1.433 HD3 :: 1.433 HE2 :: 2.565 HE3 :: 2.565 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 :: 120.900 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 P 0.09 M 0.07 Y 0.03 D 0.02 E 0.02 F 0.01 K 0.01 G 0.01 HN Overlap>> 1.D90 1.D90 C Shift Assignments>> C :: 174.600 CA :: 49.920 CB :: 36.363 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 :: 8.843 HA :: 4.837 HB2 :: 2.775 HB3 :: 2.510 HD21 :: 6.880 HD22 :: 7.583 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 :: 120.400 ND2 :: 112.700 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 A 0.2 V 0.03 C Shift Assignments>> C :: 175.200 CA :: 56.680 CB :: 38.446 CG :: 24.105 CD1 :: 23.397 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 :: 9.763 HA :: 3.929 HB2 :: 1.985 HB3 :: 1.399 HG :: 1.423 HD11 :: 0.840 HD12 :: 0.840 HD13 :: 0.840 HD21 :: 0.840 HD22 :: 0.840 HD23 :: 0.840 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 :: 124.904 Ave N Shift Values>> N :: 121.98(4.07) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 F 0.13 Y 0.11 W 0.1 E 0.07 I 0.06 R 0.06 K 0.05 V 0.04 T 0.04 Q 0.04 H 0.04 M 0.03 L 0.02 C Shift Assignments>> C :: 174.500 CA :: 59.108 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.354 HA :: 3.771 HB2 :: 3.854 HB3 :: 3.854 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 :: 111.786 Ave N Shift Values>> N :: 116.3(3.95) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 R 0.28 Q 0.28 M 0.05 E 0.02 C Shift Assignments>> C :: 174.800 CA :: 55.280 CB :: 27.614 CG :: 32.686 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 :: 7.163 HA :: 4.125 HB2 :: 2.349 HB3 :: 2.031 HG2 :: 2.344 HG3 :: 2.344 HE21 :: 6.825 HE22 :: 7.805 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 :: 120.300 NE2 :: 113.200 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.500 CA :: 62.671 CB :: 35.277 CG1 :: 26.753 CG2 :: 13.805 CD1 :: 12.187 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 :: 7.568 HA :: 3.246 HB :: 1.855 HG12 :: 0.771 HG13 :: 0.771 HG21 :: 0.627 HG22 :: 0.627 HG23 :: 0.627 HD11 :: 0.772 HD12 :: 0.772 HD13 :: 0.772 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 :: 120.300 Ave N Shift Values>> N :: 121.6(4.72) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 C Shift Assignments>> C :: 177.300 CA :: 54.171 CB :: 38.775 CG :: 23.842 CD1 :: 19.365 CD2 :: 22.307 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 :: 7.662 HA :: 4.006 HB2 :: 1.689 HB3 :: 1.420 HG :: 1.704 HD11 :: 0.700 HD12 :: 0.700 HD13 :: 0.700 HD21 :: 0.700 HD22 :: 0.700 HD23 :: 0.700 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 :: 112.798 Ave N Shift Values>> N :: 121.98(4.07) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.100 CA :: 57.689 CB :: 61.526 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.822 HA :: 3.598 HB2 :: 4.009 HB3 :: 3.892 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 :: 112.300 Ave N Shift Values>> N :: 116.3(3.95) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.78 D 0.09 Y 0.04 F 0.03 M 0.01 E 0.01 HN Overlap>> 1.A82 1.A82 C Shift Assignments>> C :: 173.327 CA :: 50.851 CB :: 37.710 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 :: 8.279 HA :: 5.094 HB2 :: 2.937 HB3 :: 2.640 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 :: 122.700 Ave N Shift Values>> N :: 120.73(4.2) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 L 0.42 R 0.02 C Shift Assignments>> C :: 174.900 CA :: 57.920 CB :: 27.944 CG :: 24.205 CD :: 40.942 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 :: 7.393 HA :: 3.704 HB2 :: 1.907 HB3 :: 1.907 HG2 :: 1.593 HG3 :: 1.593 HD2 :: 3.116 HD3 :: 3.116 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 :: 119.769 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.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 Q 0.31 R 0.15 E 0.06 I 0.03 M 0.03 C Shift Assignments>> C :: 176.100 CA :: 57.293 CB :: 26.294 CG :: 34.043 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 :: 8.540 HA :: 4.009 HB2 :: 1.913 HB3 :: 1.913 HG2 :: 2.216 HG3 :: 2.176 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 :: 118.193 Ave N Shift Values>> N :: 120.68(3.68) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 Q 0.32 R 0.27 E 0.03 M 0.02 C Shift Assignments>> C :: 176.496 CA :: 56.440 CB :: 26.610 CG :: 33.211 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 :: 7.931 HA :: 4.049 HB2 :: 2.025 HB3 :: 2.025 HG2 :: 2.200 HG3 :: 2.200 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 :: 122.363 Ave N Shift Values>> N :: 120.68(3.68) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 M 0.07 C Shift Assignments>> C :: 175.751 CA :: 62.322 CB :: 35.216 CG1 :: 29.370 CG2 :: 14.485 CD1 :: 11.731 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 :: 8.167 HA :: 3.559 HB :: 1.667 HG12 :: 1.257 HG13 :: 1.257 HG21 :: 0.681 HG22 :: 0.681 HG23 :: 0.681 HD11 :: 0.602 HD12 :: 0.602 HD13 :: 0.602 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 :: 120.382 Ave N Shift Values>> N :: 121.6(4.72) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 A 0.25 I 0.01 HN Overlap>> 1.V25 1.D77 1.V25 1.D77 C Shift Assignments>> C :: 177.080 CA :: 53.096 CB :: 15.105 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.272 HA :: 3.760 HB1 :: 1.501 HB2 :: 1.501 HB3 :: 1.501 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.800 Ave N Shift Values>> N :: 123.23(3.7) 1.H83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.63 W 0.36 HN Overlap>> 1.T9 1.T9 C Shift Assignments>> C :: 174.600 CA :: 56.024 CB :: 25.855 CE1 :: 134.700 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 :: 8.069 HA :: 4.418 HB2 :: 3.307 HB3 :: 3.307 HE1 :: 8.079 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 :: 117.500 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 E 0.2 M 0.2 K 0.08 Y 0.08 Q 0.04 F 0.03 D 0.01 H 0.01 C Shift Assignments>> C :: 175.441 CA :: 53.630 CB :: 35.932 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 :: 8.371 HA :: 4.346 HB2 :: 2.876 HB3 :: 2.782 HD21 :: 6.971 HD22 :: 7.435 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 :: 120.044 ND2 :: 111.700 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.M85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 K 0.36 M 0.2 C Shift Assignments>> C :: 174.400 CA :: 56.308 CB :: 29.606 CG :: 30.126 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 :: 8.464 HA :: 3.882 HB2 :: 2.153 HB3 :: 1.870 HG2 :: 2.579 HG3 :: 2.579 HE1 :: 1.858 HE2 :: 1.858 HE3 :: 1.858 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 :: 119.175 Ave N Shift Values>> N :: 120.1(3.88) 1.Q86 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.2 L 0.06 M 0.06 V 0.04 C Shift Assignments>> C :: 174.300 CA :: 57.830 CB :: 24.202 CG :: 29.697(S) 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 :: 8.362 HA :: 3.501 HB2 :: 2.545 HB3 :: 1.978 HG2 :: 2.097 HG3 :: 2.097 HE21 :: 6.628 HE22 :: 7.358 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 :: 120.533 NE2 :: 111.200 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.100 CA :: 58.950 CB :: 59.963 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.828 HA :: 3.990 HB2 :: 3.835 HB3 :: 3.835 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 :: 114.652 Ave N Shift Values>> N :: 116.3(3.95) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 S 0.26 C Shift Assignments>> C :: 174.700 CA :: 63.569 CB :: 66.165 CG2 :: 18.961 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 :: 7.888 HA :: 3.896 HB :: 3.964 HG21 :: 1.110 HG22 :: 1.110 HG23 :: 1.110 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.884 Ave N Shift Values>> N :: 115.7(5.05) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 L 0.36 C Shift Assignments>> C :: 176.900 CA :: 54.838 CB :: 39.750 CG :: 24.520 CD1 :: 21.894 CD2 :: 22.430 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 :: 8.627 HA :: 3.964 HB2 :: 1.373 HB3 :: 1.373 HG :: 1.045 HD11 :: 0.693 HD12 :: 0.693 HD13 :: 0.693 HD21 :: 0.693 HD22 :: 0.693 HD23 :: 0.693 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.262 Ave N Shift Values>> N :: 121.98(4.07) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 Y 0.2 D 0.16 F 0.15 E 0.06 L 0.04 I 0.02 M 0.01 HN Overlap>> 1.N70 1.N70 1.I27 1.I27 C Shift Assignments>> C :: 175.900 CA :: 54.900 CB :: 38.356 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 :: 8.865 HA :: 4.317 HB2 :: 2.924 HB3 :: 2.648 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 :: 120.400 Ave N Shift Values>> N :: 120.73(4.2) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 Y 0.18 E 0.12 F 0.11 D 0.1 M 0.04 I 0.02 L 0.01 K 0.01 C Shift Assignments>> C :: 175.400 CA :: 54.599 CB :: 37.679 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 :: 7.714 HA :: 4.148 HB2 :: 2.602 HB3 :: 2.602 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.009 Ave N Shift Values>> N :: 120.73(4.2) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.23 C Shift Assignments>> C :: 175.800 CA :: 51.350 CB :: 17.007 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.293 HA :: 3.959 HB1 :: 1.280 HB2 :: 1.280 HB3 :: 1.280 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.974 Ave N Shift Values>> N :: 123.23(3.7) 1.T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.6 S 0.36 A 0.02 C Shift Assignments>> C :: 174.600 CA :: 59.675 CB :: 67.225 CG2 :: 19.160 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 :: 7.514 HA :: 3.240 HB :: 4.120 HG21 :: 1.064 HG22 :: 1.064 HG23 :: 1.064 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 :: 103.900 Ave N Shift Values>> N :: 115.7(5.05) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 Y 0.21 E 0.2 F 0.12 D 0.06 M 0.06 I 0.03 K 0.02 L 0.01 C Shift Assignments>> C :: 176.500 CA :: 55.247 CB :: 37.370 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 :: 7.213 HA :: 4.371 HB2 :: 2.545 HB3 :: 2.545 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 :: 124.100 Ave N Shift Values>> N :: 120.73(4.2) 1.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.48 C Shift Assignments>> C :: 174.800 CA :: 51.330 CB :: 15.249 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.693 HA :: 3.996 HB1 :: 1.094 HB2 :: 1.094 HB3 :: 1.094 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.344 Ave N Shift Values>> N :: 123.23(3.7) 1.W96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 A 0.45 C Shift Assignments>> C :: 172.500 CA :: 51.910 CB :: 26.270 CD1 :: 121.900 CZ2 :: 111.300 CH2 :: 121.800 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 :: 7.233 HA :: 4.751 HB2 :: 3.206 HB3 :: 3.206 HD1 :: 6.789 HE1 :: 9.811 HZ2 :: 7.169 HH2 :: 6.895 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 :: 115.122 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.3 G 0.18 D 0.04 F 0.04 K 0.02 Y 0.02 C Shift Assignments>> C :: 171.300 CA :: 43.788 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.701 HA2 :: 4.239 HA3 :: 3.942 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.935 Ave N Shift Values>> N :: 109.91(4.29) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 A 0.17 C Shift Assignments>> C :: 171.300 CA :: 56.543 CB :: 39.383 CG1 :: 26.916 CG2 :: 14.725 CD1 :: 10.041 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 :: 7.189 HA :: 4.603 HB :: 1.720 HG12 :: 1.546 HG13 :: 1.341 HG21 :: 0.747 HG22 :: 0.747 HG23 :: 0.747 HD11 :: 0.708 HD12 :: 0.708 HD13 :: 0.708 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 :: 119.400 Ave N Shift Values>> N :: 121.6(4.72) 1.K99 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 M 0.01 HN Overlap>> 1.I19 1.I19 C Shift Assignments>> CA :: 49.974 CB :: 30.699 CG :: 20.874 CD :: 24.984 CE :: 39.125 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 :: 9.047 HA :: 4.767 HB2 :: 1.713 HB3 :: 1.713 HG2 :: 1.107 HG3 :: 1.107 HD2 :: 1.353 HD3 :: 1.353 HE2 :: 2.783 HE3 :: 2.783 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.500 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 V 0.22 I 0.11 A 0.06 C Shift Assignments>> CA :: 57.808 CB :: 30.747 CG1 :: 19.813 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 :: 8.876 HA :: 4.366 HB :: 1.771 HG11 :: 0.538 HG12 :: 0.538 HG13 :: 0.538 HG21 :: 0.538 HG22 :: 0.538 HG23 :: 0.538 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 :: 128.268 Ave N Shift Values>> N :: 121.02(4.96) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.34 M 0.11 R 0.08 E 0.07 C Shift Assignments>> CA :: 54.382 CB :: 29.211 CG :: 33.402 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 :: 7.616 HA :: 4.237 HB2 :: 1.513 HB3 :: 1.513 HG2 :: 2.060 HG3 :: 1.893 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 :: 115.752 Ave N Shift Values>> N :: 120.68(3.68) 1.R102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.1 L 0.04 A 0.02 C Shift Assignments>> C :: 170.100 CA :: 53.390 CB :: 30.813 CG :: 24.665 CD :: 40.413 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 :: 7.616 HA :: 4.380 HB2 :: 1.440 HB3 :: 1.440 HG2 :: 1.114 HG3 :: 1.114 HD2 :: 2.773 HD3 :: 2.573 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.585 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.V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 A 0.22 I 0.11 HN Overlap>> 1.D6 1.D6 C Shift Assignments>> C :: 170.900 CA :: 58.410 CB :: 32.100 CG1 :: 19.558 CG2 :: 17.652 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 :: 8.472 HA :: 4.687 HB :: 1.913 HG11 :: 0.717 HG12 :: 0.717 HG13 :: 0.717 HG21 :: 0.717 HG22 :: 0.717 HG23 :: 0.717 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 :: 124.751 Ave N Shift Values>> N :: 121.02(4.96) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 Q 0.3 K 0.19 P 0.04 E 0.04 R 0.03 C Shift Assignments>> C :: 172.700 CA :: 51.646 CB :: 30.330 CG :: 33.350 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 :: 9.032 HA :: 4.586 HB2 :: 1.762 HB3 :: 1.762 HG2 :: 2.012 HG3 :: 2.012 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 :: 124.444 Ave N Shift Values>> N :: 120.68(3.68) 1.I105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 A 0.06 M 0.03 C Shift Assignments>> C :: 172.800 CA :: 58.346 CB :: 35.213 CG1 :: 24.979 CG2 :: 14.122 CD1 :: 9.545 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 :: 8.739 HA :: 4.083 HB :: 1.591 HG12 :: 1.257 HG13 :: 1.439 HG21 :: 0.626 HG22 :: 0.626 HG23 :: 0.626 HD11 :: 0.646 HD12 :: 0.646 HD13 :: 0.646 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 :: 124.438 Ave N Shift Values>> N :: 121.6(4.72) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 L 0.19 M 0.04 C Shift Assignments>> CA :: 54.233 CB :: 29.563 CG :: 22.040 CD :: 25.864 CE :: 38.816 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 :: 8.312 HA :: 4.142 HB2 :: 1.258 HB3 :: 1.258 HG2 :: 1.248 HG3 :: 1.248 HD2 :: 1.259 HD3 :: 1.259 HE2 :: 2.706 HE3 :: 2.706 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 :: 129.600 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.31 L 0.08 Y 0.07 F 0.07 K 0.01 HN Overlap>> 1.H4 1.H4 C Shift Assignments>> CA :: 52.970 CB :: 39.671 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 :: 8.185 HA :: 4.512 HB2 :: 2.594 HB3 :: 2.594 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.900 Ave N Shift Values>> N :: 120.73(4.2) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 V 0.26 A 0.1 C Shift Assignments>> C :: 171.900 CA :: 59.072 CB :: 30.246 CG1 :: 18.825 CG2 :: 17.646 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 :: 7.988 HA :: 4.205 HB :: 1.836 HG11 :: 0.611 HG12 :: 0.611 HG13 :: 0.611 HG21 :: 0.611 HG22 :: 0.611 HG23 :: 0.611 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.597 Ave N Shift Values>> N :: 121.02(4.96) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.03 C Shift Assignments>> CA :: 51.658 CB :: 31.767 CG :: 21.952 CD :: 26.114 CE :: 39.403 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 :: 8.883 HA :: 4.439 HB2 :: 1.664 HB3 :: 1.664 HG2 :: 1.162 HG3 :: 1.162 HD2 :: 1.480 HD3 :: 1.480 HE2 :: 3.061 HE3 :: 2.780 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 :: 126.475 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.74 D 0.16 Y 0.03 F 0.02 L 0.01 HN Overlap>> 1.D6 1.D6 C Shift Assignments>> CA :: 50.030 CB :: 38.600 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 :: 8.344 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 :: 124.629 Ave N Shift Values>> N :: 121.98(4.07) 1.P111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.95 L 0.02 P 0.01 C Shift Assignments>> C :: 173.891 CA :: 60.119 CB :: 29.293 CG :: 24.546 CD :: 47.741 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 :: 4.330 HB2 :: 2.141 HB3 :: 1.762 HG2 :: 1.454 HG3 :: 1.454 HD2 :: 3.684 HD3 :: 3.544 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) N Shift Assignments>> N :: 110.908 Ave N Shift Values>> N :: 127.4(10.05) 1.V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 V 0.21 A 0.02 C Shift Assignments>> C :: 172.749 CA :: 59.878 CB :: 29.899 CG1 :: 18.464 CG2 :: 17.842 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 :: 8.160 HA :: 3.937 HB :: 1.933 HG11 :: 0.839 HG12 :: 0.839 HG13 :: 0.839 HG21 :: 0.839 HG22 :: 0.839 HG23 :: 0.839 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 :: 120.865 Ave N Shift Values>> N :: 121.02(4.96) 1.Q113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.17 R 0.17 Q 0.16 K 0.15 H 0.14 W 0.08 E 0.06 M 0.02 I 0.01 C Shift Assignments>> C :: 177.589 CA :: 54.441 CB :: 27.954 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 :: 7.907 HA :: 4.057 HB2 :: 1.952 HB3 :: 1.806 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 :: 129.000 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) ########################################################################### Overall Results: #Consistent: 106 #Clerical: 0 #Suspicious: 3 #Anomalous: 1 #Mistyped: 3 #Indeterminable: 0 Typing Results: #Consistent: 108 #Suspicious: 0 #Mistyped: 3 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 113 #Suspicious: 0 C Shift Results: #Consistent: 450 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 1 H Shift Results: #Consistent: 758 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 122 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I10 HB = 0.649(S), Expected = 1.80, Std = 0.3100, ChiSquare = 2.0490e-04 1.D23 Typing: Mistyped 1.D23 CB = 34.153(S), Expected = 40.70, Std = 1.6700, ChiSquare = 8.8417e-05 1.V33 HB = 0.348(S), Expected = 1.99, Std = 0.3300, ChiSquare = 6.4993e-07 1.Y35 CE2 = 114.700(A), Expected = 117.91, Std = 2.6000, ChiSquare = 2.1697e-01 1.A53 HB1 = 0.541(S), Expected = 1.38, Std = 0.2500, ChiSquare = 7.9079e-04 1.A53 HB2 = 0.541(S), Expected = 1.38, Std = 0.2500, ChiSquare = 7.9079e-04 1.A53 HB3 = 0.541(S), Expected = 1.38, Std = 0.2500, ChiSquare = 7.9079e-04 1.Q86 Typing: Mistyped 1.Q86 CG = 29.697(S), Expected = 33.72, Std = 1.1000, ChiSquare = 2.5491e-04 1.K99 Typing: Mistyped